Sugi Predict

Sugi Predict / Compounds / SCHEMBL18999996

SCHEMBL18999996

SCHEMBL18999996

CC(C)CNC(=O)COC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HPGD P15428 7/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ USP2 O75604 1/20 0.37

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
SCHEMBL25038990 0.86 MAPK1 (0.43) LMNASMN1; SMN2CYP2D6CYP2C19HPGD
SCHEMBL24263331 0.82 AAK1 (0.35) LMNASMN1; SMN2HPGDALDH1A1
SCHEMBL24349443 0.82 AAK1 (0.35) LMNASMN1; SMN2HPGDALDH1A1
SCHEMBL17660249 0.81 HPGD (0.45) LMNASMN1; SMN2CYP2D6CYP2C19HPGD
SCHEMBL20939040 0.81 KMT2A (0.46) LMNASMN1; SMN2CYP2C19HPGDALDH1A1
SCHEMBL24349861 0.80 AAK1 (0.36) LMNASMN1; SMN2HPGDALDH1A1MMP1
SCHEMBL24263125 0.80 AAK1 (0.36) LMNASMN1; SMN2HPGDALDH1A1MMP1
SCHEMBL18649461 0.79 SYK (0.34) LMNASMN1; SMN2CYP2C19
SCHEMBL12859465 0.79 SYK (0.34) LMNASMN1; SMN2CYP2C19
SCHEMBL24349908 0.79 LMNA (0.31) LMNASMN1; SMN2HPGDALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132823-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2023-05-04 — — US disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 — — US disclosed
US-11547759-B2 Bi-functional compounds and methods for targeted ubiquitination of androgen receptor MONTELINO THERAPEUTICS, INC. (US) 2023-01-10 — — US disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 — — EP disclosed
EP-3889145-A1 8-CYANO-5-PIPERIDINO-QUINOLINES AS TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 — — EP disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 — — US disclosed
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 — — US disclosed
US-10696649-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-06-30 — — US disclosed
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-03-26 — — US disclosed
US-10544122-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-01-28 — — US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 — — US disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 — — US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 — — US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 — — 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 (11 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-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 LMNA 1762/4885SMN1; SMN2 1984/4885CYP2D6 2791/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 LMNA 1633/4885SMN1; SMN2 2066/4885CYP2D6 3082/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 LMNA 1762/4885SMN1; SMN2 1984/4885CYP2D6 2791/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 LMNA 1762/4885SMN1; SMN2 1984/4885CYP2D6 2791/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 LMNA 1762/4885SMN1; SMN2 1984/4885CYP2D6 2791/4885
US-11547759-B2 Bi-functional compounds and methods for targeted ubiquitination of androgen receptor AR, ADRM1, PSMA3 LMNA 3241/4885SMN1; SMN2 4546/4885CYP2D6 2314/4885
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 LMNA 2514/4885SMN1; SMN2 4145/4885CYP2D6 148/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 LMNA 1770/4885SMN1; SMN2 2610/4885CYP2D6 2085/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 LMNA 1770/4885SMN1; SMN2 2610/4885CYP2D6 2085/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 LMNA 1762/4885SMN1; SMN2 1984/4885CYP2D6 2791/4885
US-20230132823-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR AR, ADRM1, PSMA3 LMNA 3241/4885SMN1; SMN2 4546/4885CYP2D6 2314/4885

“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.