SCHEMBL2999400

SCHEMBL2999400

CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(OC)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
FAAH O00519 1/20 0.49
MAPT P10636 4/20 0.48
PLA2G2A P14555 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
RGS12 O14924 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
GNAI1 P63096 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 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
SCHEMBL3006244 0.95 MAPT (0.51) FAAHMAPTPLA2G2ASMN1; SMN2MEN1
SCHEMBL3005608 0.93 FAAH (0.47) PTGS2FAAHMAPTMEN1KMT2A
SCHEMBL4093742 0.92 FAAH (0.49) FAAHMAPTPLA2G2AMEN1RGS12
SCHEMBL3004516 0.92 MAPT (0.51) FAAHMAPTPLA2G2ASMN1; SMN2MEN1
SCHEMBL2994830 0.91 FAAH (0.50) PTGS2FAAHMAPTPLA2G2ASMN1; SMN2
SCHEMBL3005007 0.91 FAAH (0.46) FAAHMAPTPLA2G2AMEN1KMT2A
SCHEMBL3002874 0.91 PTGS2 (0.46) PTGS2FAAHMAPTPLA2G2ALMNA
SCHEMBL3007091 0.90 FAAH (0.48) FAAHMAPTPLA2G2AMEN1RGS12
SCHEMBL3010325 0.90 MAPT (0.49) FAAHMAPTPLA2G2ASMN1; SMN2MEN1
SCHEMBL3002650 0.90 FAAH (0.59) FAAHMAPTPLA2G2ASMN1; SMN2HTT

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 45/4885FAAH 109/4885MAPT 997/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PTGS2 29/4885FAAH 1/4885MAPT 2737/4885

“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.