Sugi Predict

Sugi Predict / Compounds / SCHEMBL4275992

SCHEMBL4275992

SCHEMBL4275992

Oc1cccc(-c2ccc[c]c2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 14/20 0.50
▸ HSD17B2 P37059 13/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ ESR1 P03372 2/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ PIK3CD O00329 1/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ RPS6KA5 O75582 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ RET P07949 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ FGFR1 P11362 1/20 0.39

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
SCHEMBL6824951 0.81 HSD17B1 (0.48) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL5384403 0.81 ALOX5 (0.44) ESR2TSHR
SCHEMBL4281937 0.81 HSD17B1 (0.48) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL4283341 0.79 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL4285032 0.79 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL4288525 0.79 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL1921664 0.79 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL4276821 0.79 APP (0.42) CYP3A4ESR1ESR2TSHR
SCHEMBL4284888 0.79 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL2429097 0.79 TAAR1 (0.43) CYP3A4ESR2ROCK2MAP4K4PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 — — EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 — — US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 — — US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 — — US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 — — US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 — — 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 (2 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 HSD17B1 4412/4885HSD17B2 4480/4885CYP3A4 4637/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HSD17B1 4420/4885HSD17B2 4474/4885CYP3A4 4703/4885

“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.