SCHEMBL16099171

SCHEMBL16099171

CCc1ccc(Br)c(NC(=O)N2CCC[C@@H]2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.56
▸ ITGB1 P05556 1/20 0.56
▸ ITGAV P06756 1/20 0.56
▸ ITGA5 P08648 1/20 0.56
▸ ITGA4 P13612 1/20 0.56
▸ KMT2A Q03164 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ MEN1 O00255 1/20 0.45
▸ MME P08473 1/20 0.45
▸ MMEL1 Q495T6 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ CFD P00746 1/20 0.42
▸ CCR1 P32246 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL16099172 1.00 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099157 0.84 ITGB3 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099158 0.84 ITGB3 (0.58) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099416 0.82 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16099417 0.82 ITGB3 (0.56) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16105033 0.71 ITGB3 (0.70) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL16105032 0.71 ITGB3 (0.70) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL5949980 0.70 THRB (0.61) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL5105015 0.69 ITGB3 (0.72) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL4186674 0.69 KMT2A (0.76) ITGB3ITGB1ITGAVITGA5ITGA4

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-9708340-B2 Urea derivatives and their use as fatty-acid binding protein (FABP) inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-07-18 — — US disclosed
US-9708340-B2 Urea derivatives and their use as fatty-acid binding protein (FABP) inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-07-18 — — US disclosed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 — — US disclosed
WO-2014146994-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 — — WO disclosed
WO-2014146994-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-25 — — 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 (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-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS FABP1, FABP5, FABP2 ITGB3 4019/4885ITGB1 4032/4885ITGAV 4572/4885

“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.

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