Sugi Predict

Sugi Predict / Compounds / SCHEMBL1911530

SCHEMBL1911530

SCHEMBL1911530

CCCCC(C)(C)C(=O)OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.47
▸ CYP4A11 Q02928 1/20 0.47
▸ TSHR P16473 4/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ ELANE P08246 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ACAT1 P24752 1/20 0.33
▸ SOAT1 P35610 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1911430 0.95 CYP4F2 (0.50) CYP4F2CYP4A11TSHRPRKCAMAPT
SCHEMBL10087756 0.93 CYP4F2 (0.53) CYP4F2CYP4A11TSHRMAPTELANE
SCHEMBL10087754 0.93 CYP4F2 (0.53) CYP4F2CYP4A11TSHRMAPTELANE
SCHEMBL12438962 0.93 CYP4F2 (0.53) CYP4F2CYP4A11TSHRMAPTELANE
SCHEMBL20747669 0.93 CYP4F2 (0.53) CYP4F2CYP4A11TSHRMAPTELANE
SCHEMBL10087755 0.93 CYP4F2 (0.53) CYP4F2CYP4A11TSHRMAPTELANE
SCHEMBL6892121 0.89 CYP4F2 (0.42) CYP4F2CYP4A11TSHRPRKCAMAPT
SCHEMBL13673494 0.86 CYP4F2 (0.39) CYP4F2CYP4A11TSHRPRKCAMAPT
SCHEMBL1908743 0.85 CYP4F2 (0.43) CYP4F2CYP4A11TSHRPRKCAALDH1A1
SCHEMBL20747690 0.85 TSHR (0.37) CYP4F2CYP4A11TSHRPRKCAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 — — US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 — — US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 — — US disclosed
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2020-11-03 — — US disclosed
US-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 — — US disclosed
US-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 — — US disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 — — US disclosed
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-12 — — US disclosed
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2019-07-16 — — US disclosed
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-03-21 — — US disclosed
WO-2011084849-A1 DIARYLDIAZEPINE PRODRUGS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. (US) 2011-07-14 — — WO disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 — — US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 — — US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 — — US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 — — US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 — — US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 — — US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 — — US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 — — US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CYP4F2 503/4885CYP4A11 404/4885TSHR 1280/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CYP4F2 503/4885CYP4A11 404/4885TSHR 1280/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CYP4F2 2245/4885CYP4A11 1511/4885TSHR 3738/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B CYP4F2 2028/4885CYP4A11 571/4885TSHR 520/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 CYP4F2 2245/4885CYP4A11 1511/4885TSHR 3738/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB CYP4F2 173/4885CYP4A11 749/4885TSHR 1502/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CYP4F2 503/4885CYP4A11 404/4885TSHR 1280/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B CYP4F2 125/4885CYP4A11 69/4885TSHR 3059/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 CYP4F2 2245/4885CYP4A11 1511/4885TSHR 3738/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 CYP4F2 2245/4885CYP4A11 1511/4885TSHR 3738/4885
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 CYP4F2 2842/4885CYP4A11 3062/4885TSHR 2529/4885
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CYP4F2 503/4885CYP4A11 404/4885TSHR 1280/4885
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CYP4F2 503/4885CYP4A11 404/4885TSHR 1280/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CYP4F2 503/4885CYP4A11 404/4885TSHR 1280/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.