SCHEMBL5012764

SCHEMBL5012764

NOCc1cccc(-c2nccs2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
PDPK1 O15530 1/20 0.54
AGXT P21549 6/20 0.54
CARM1 Q86X55 4/20 0.53
PRMT1 Q99873 4/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
CYP2A6 P11509 1/20 0.45
IDO1 P14902 6/20 0.44
CYP3A4 P08684 1/20 0.44
PTGDR2 Q9Y5Y4 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
SCHEMBL1019025 0.83 LOXL2 (0.72) FFAR1PDPK1CARM1PRMT1LOXL2
SCHEMBL5016046 0.82 LOXL2 (0.66) PDPK1AGXTCARM1PRMT1LOXL2
SCHEMBL14074962 0.81 FFAR1 (0.53) FFAR1PDPK1CARM1PRMT1LOXL2
SCHEMBL5216533 0.80 LOXL2 (0.58) FFAR1PDPK1CARM1PRMT1LOXL2
SCHEMBL18313516 0.80 PDPK1 (0.59) FFAR1PDPK1CARM1PRMT1LOXL2
SCHEMBL18586399 0.80 PDPK1 (0.59) FFAR1PDPK1CARM1PRMT1LOXL2
SCHEMBL9454664 0.80 PDPK1 (0.59) FFAR1PDPK1CARM1PRMT1LOXL2
SCHEMBL12747050 0.80 PDPK1 (0.59) FFAR1PDPK1CARM1PRMT1LOXL2
SCHEMBL30807257 0.79 FFAR1 (0.51) FFAR1PDPK1CARM1PRMT1LOXL2
SCHEMBL10336939 0.78 PDPK1 (0.68) FFAR1PDPK1CARM1PRMT1LOXL2

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-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
CN-101107000-A 3,6-bicyclolides ENANTA PHARM INC (US) 2008-01-16 CN disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 FFAR1 1814/4885PDPK1 1677/4885AGXT 1676/4885

“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.