SCHEMBL4893855

SCHEMBL4893855

CCOC(=O)c1cc2cc(-c3c(C(=O)OCC)n(Cc4ccccc4)c4ccc(N)cc34)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
MMP13 P45452 8/20 0.47
MMP2 P08253 7/20 0.47
MMP14 P50281 5/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
PLA2G2A P14555 1/20 0.46
HSD17B10 Q99714 1/20 0.45
BCHE P06276 1/20 0.45

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
SCHEMBL4893850 0.87 PLA2G2A (0.46) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL4887465 0.87 AR (0.50) HRH3MMP13MMP2MMP14KDM4E
SCHEMBL4886339 0.85 PLA2G2A (0.55) KDM4ELMNASMN1; SMN2GAAMAPT
SCHEMBL4893009 0.83 PLA2G2A (0.51) KDM4ELMNAGAAMAPTKMT2A
SCHEMBL4887373 0.81 SERPINE1 (0.55) KDM4ELMNAGAAMAPTKMT2A
SCHEMBL5415705 0.74 MAPK8 (0.52) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL656018 0.74 KDM4E (0.74) HRH3MMP13MMP2MMP14KDM4E
SCHEMBL4887461 0.74 AR (0.51) KDM4ELMNAGAAMAPTMEN1
SCHEMBL419130 0.73 MMP13 (0.77) HRH3MMP13MMP2MMP14KDM4E
Hydrochloric Acid SCHEMBL28674698 0.73 KDM4E (0.72) HRH3MMP13MMP2MMP14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES WYETH (US) 2008-12-25 US disclosed
US-7442805-B2 Substituted sulfonamide-indoles WYETH (US) 2008-10-28 US disclosed
US-20050096377-A1 Substituted sulfonamide-indoles WYETH (US) 2005-05-05 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-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES STS, TPST2, IDO2 HRH3 988/4885MMP13 4225/4885MMP2 4537/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 HRH3 988/4885MMP13 4225/4885MMP2 4537/4885

“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.