SCHEMBL2999341

SCHEMBL2999341

COc1cccc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3Cl)c3ccc(C)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
MAPT P10636 6/20 0.42
PTGER3 P43115 3/20 0.42
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
PLA2G2A P14555 2/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3000373 0.95 MAPT (0.43) FAAHMAPTPTGER3HTTPKM
SCHEMBL2996507 0.94 PLA2G2A (0.43) FAAHMAPTPTGER3HTTPKM
SCHEMBL3008418 0.92 PTGER3 (0.41) FAAHMAPTPTGER3HTTPKM
SCHEMBL4096099 0.92 FAAH (0.46) FAAHMAPTHTTKDM4EALDH1A1
SCHEMBL2991509 0.91 FAAH (0.48) FAAHMAPTHTTPLA2G2ATP53
SCHEMBL4088421 0.91 PLA2G2A (0.43) FAAHMAPTPTGER3PLA2G2ATP53
SCHEMBL3002650 0.90 FAAH (0.59) FAAHMAPTPTGER3HTTPLA2G2A
SCHEMBL3002874 0.90 PTGS2 (0.46) FAAHMAPTPTGER3HTTPKM
SCHEMBL3007578 0.90 FAAH (0.51) FAAHMAPTPTGER3HTTPKM
SCHEMBL2995729 0.89 FAAH (0.45) FAAHMAPTALDH1A1SMN1; SMN2

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-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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN 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

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 FAAH 109/4885MAPT 997/4885PTGER3 95/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885MAPT 2737/4885PTGER3 42/4885

“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.