SCHEMBL2994490

SCHEMBL2994490

COc1ccc2c(c1)c(C(=O)C(=O)NC1CCCC1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.44
GSK3B P49841 1/20 0.40
EPHX2 P34913 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PTGS2 P35354 2/20 0.39
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
RGS12 O14924 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3006204 0.99 PLA2G2A (0.44) PLA2G2AGSK3BEPHX2MEN1KMT2A
SCHEMBL3005938 0.98 PLA2G2A (0.44) PLA2G2AGSK3BEPHX2MEN1KMT2A
SCHEMBL3000840 0.97 PLA2G2A (0.46) PLA2G2AGSK3BEPHX2MEN1KMT2A
SCHEMBL4378312 0.92 PLA2G2A (0.42) PLA2G2AGSK3BEPHX2MEN1KMT2A
SCHEMBL3003522 0.92 EPHX2 (0.39) PLA2G2AEPHX2MEN1KMT2ACNR2
SCHEMBL15062725 0.92 PLA2G2A (0.42) PLA2G2AMEN1KMT2ARGS12ALDH1A1
SCHEMBL2998758 0.92 ALDH1A1 (0.42) EPHX2MEN1KMT2ACNR2ALDH1A1
SCHEMBL2998239 0.91 MAPT (0.39) PLA2G2AEPHX2MEN1KMT2ACNR2
SCHEMBL3012007 0.91 ALDH1A1 (0.44) EPHX2MEN1KMT2ACNR2CNR1
SCHEMBL2992530 0.91 EPHX2 (0.39) PLA2G2AEPHX2MEN1KMT2ACNR2

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 PLA2G2A 3285/4885GSK3B 179/4885EPHX2 3017/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 PLA2G2A 242/4885GSK3B 1285/4885EPHX2 254/4885

“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.