SCHEMBL2994597

SCHEMBL2994597

O=C(O)c1cc2cc(O)cnc2n1Cc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.41
ABCB11 O95342 3/20 0.39
GPR35 Q9HC97 2/20 0.39
CCR9 P51686 6/20 0.38
F10 P00742 1/20 0.36
TRAP1 Q12931 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2993976 0.89 CCR2 (0.48) CCR2ABCB11GPR35CCR9
SCHEMBL2999654 0.88 F10 (0.45) CCR2ABCB11GPR35F10KDM4E
SCHEMBL2995558 0.84 CCR2 (0.56) CCR2ABCB11GPR35CCR9F10
SCHEMBL3001949 0.82 CCR2 (0.55) CCR2ABCB11GPR35CCR9
SCHEMBL3119623 0.81 CCR2 (0.55) CCR2ABCB11GPR35CCR9ALDH1A1
SCHEMBL1100706 0.80 CCR2 (0.47) CCR2GPR35KDM4ECYP1A2CYP3A4
SCHEMBL4384057 0.79 CCR2 (0.58) CCR2ABCB11GPR35CCR9
SCHEMBL3001509 0.79 L3MBTL1 (0.42) CCR2GPR35ALDH1A1KDM4ELMNA
SCHEMBL297540 0.79 CCR2 (0.46) CCR2ABCB11GPR35CCR9
SCHEMBL3005519 0.78 CCR2 (0.60) CCR2ABCB11GPR35CCR9F10

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 4 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

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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 CCR2 107/4885ABCB11 3804/4885GPR35 206/4885

“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.