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Sugi Predict / Compounds / SCHEMBL4582239

SCHEMBL4582239

SCHEMBL4582239

CC(=O)c1ccc(-c2ccc(C#N)c(NC3CCC(O)CC3)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK11 Q15759 4/20 0.41
▸ MAPK14 Q16539 4/20 0.41
▸ PRKCQ Q04759 5/20 0.39
▸ PRKCD Q05655 4/20 0.39
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ PGR P06401 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CTSC P53634 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CD38 P28907 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35

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
SCHEMBL4581735 0.82 HSP90AA1 (0.49) HSP90AA1
SCHEMBL4580711 0.81 HSP90AA1 (0.45) PRKCQPRKCDHSP90AA1
SCHEMBL4581755 0.76 ALDH1A1 (0.42) PRKCQPRKCDPGRHSP90AA1
SCHEMBL4580882 0.73 HSP90AA1 (0.46) PRKCQPRKCDHSP90AA1
SCHEMBL4580648 0.73 PRKCQ (0.43) PRKCQPRKCDHSP90AA1
SCHEMBL14252710 0.73 PRKCQ (0.43) PRKCQPRKCDHSP90AA1
SCHEMBL4582583 0.72 PRKCQ (0.44) PRKCQPRKCDHSP90AA1
SCHEMBL4579980 0.72 KDM4E (0.48) PRKCQPRKCDPGRHSP90AA1
SCHEMBL4579571 0.71 KMT2A (0.45) PRKCQPRKCDCTSKHSP90AA1
SCHEMBL4581754 0.71 PRKCQ (0.43) PRKCQPRKCDHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 — — US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 — — WO claimed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 — — US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 — — US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 — — US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 — — WO disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 — — WO 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 (1 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-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 MAPK11 1592/4885MAPK14 3162/4885PRKCQ 4593/4885

“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.