SCHEMBL4887465

SCHEMBL4887465

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.50
PLA2G2A P14555 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
ELANE P08246 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAPT P10636 2/20 0.44
MMP2 P08253 4/20 0.44
MMP13 P45452 4/20 0.44
MMP14 P50281 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4887461 0.88 AR (0.51) ARPLA2G2AMEN1KMT2APOLB
SCHEMBL4893855 0.87 HRH3 (0.48) PLA2G2AMEN1KMT2AHRH3MAPT
SCHEMBL4893680 0.86 AR (0.60) ARPLA2G2AMEN1KMT2AELANE
SCHEMBL4884093 0.84 AR (0.58) ARPLA2G2AMEN1KMT2AELANE
SCHEMBL4891631 0.82 AR (0.56) ARPLA2G2AMEN1KMT2APOLB
SCHEMBL4892207 0.78 PLA2G2A (0.58) ARPLA2G2AMEN1KMT2APOLB
SCHEMBL5738096 0.76 MMP13 (0.69) ARMEN1KMT2AHRH3MAPT
SCHEMBL656156 0.76 KDM4E (0.67) ARMEN1KMT2AHRH3MAPT
SCHEMBL5428229 0.76 AR (0.61) ARPLA2G2AMEN1KMT2APOLB
SCHEMBL4893850 0.74 PLA2G2A (0.46) PLA2G2AKMT2APOLBMAPTKDM4E

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 AR 877/4885PLA2G2A 3606/4885MEN1 3530/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 AR 877/4885PLA2G2A 3606/4885MEN1 3530/4885

“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.