Sugi Predict

Sugi Predict / Compounds / SCHEMBL13699876

SCHEMBL13699876

SCHEMBL13699876

CC(=O)c1cccc(C(C)C)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.46
▸ GABRA1 P14867 3/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ FAAH O00519 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ HTR2B P41595 1/20 0.43

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
SCHEMBL18252849 0.85 NOTUM (0.56) NOTUMGABRA1GABRG2GABRB3LMNA
SCHEMBL21132416 0.85 CES2 (0.42) NOTUMHPGDCES2CES1BCHE
SCHEMBL16954418 0.84 GABRA1 (0.46) NOTUMGABRA1GABRG2GABRB3LMNA
SCHEMBL18375352 0.83 NOTUM (0.44) NOTUMGABRA1GABRG2GABRB3LMNA
SCHEMBL557360 0.82 GABRA1 (0.45) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL23590684 0.82 TRPV3 (0.43) NOTUMGABRA1GABRG2GABRB3LMNA
SCHEMBL1635308 0.81 GABRA1 (0.50) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL29567244 0.81 GABRA1 (0.50) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL25628424 0.81 PARP1 (0.38) NOTUMCES2CES1KCNK3KCNK9
SCHEMBL23590451 0.81 GABRA1 (0.43) NOTUMGABRA1GABRG2GABRB3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 — — US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 — — US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 — — US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 — — US disclosed
EP-2098532-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-09-09 — — EP 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 (3 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS NOTUM 2183/4885GABRA1 1992/4885GABRG2 1120/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS NOTUM 2183/4885GABRA1 1992/4885GABRG2 1120/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS NOTUM 2183/4885GABRA1 1992/4885GABRG2 1120/4885

“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.