SCHEMBL3002874

SCHEMBL3002874

CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(OC)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
TP53 P04637 2/20 0.41
PLA2G2A P14555 3/20 0.40
EDNRB P24530 3/20 0.40
FAAH O00519 1/20 0.40
PTGER3 P43115 2/20 0.40
MAPT P10636 5/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2996507 0.95 PLA2G2A (0.43) PTGS2TP53PLA2G2AFAAHPTGER3
SCHEMBL4089977 0.94 TP53 (0.43) PTGS2TP53FAAHMAPTHTT
SCHEMBL3000373 0.93 MAPT (0.43) TP53PLA2G2AFAAHPTGER3MAPT
SCHEMBL3008455 0.92 MEN1 (0.42) PLA2G2AEDNRBFAAHMAPTRXFP1
SCHEMBL4088421 0.92 PLA2G2A (0.43) PTGS2TP53PLA2G2AFAAHPTGER3
SCHEMBL3008903 0.92 MEN1 (0.41) TP53EDNRBMAPTLMNA
SCHEMBL2999400 0.91 PTGS2 (0.50) PTGS2TP53PLA2G2AFAAHPTGER3
SCHEMBL2999341 0.90 FAAH (0.48) TP53PLA2G2AFAAHPTGER3MAPT
SCHEMBL3008418 0.90 PTGER3 (0.41) TP53PLA2G2AFAAHPTGER3MAPT
SCHEMBL3006768 0.90 PTGS2 (0.49) PTGS2TP53PLA2G2AEDNRBFAAH

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
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 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 (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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PTGS2 45/4885TP53 2579/4885PLA2G2A 3285/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PTGS2 29/4885TP53 4734/4885PLA2G2A 242/4885

“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.