SCHEMBL15720223

SCHEMBL15720223

COC(=O)CC1CC(C#N)=NN1c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.53
▸ NR3C2 P08235 2/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MIF P14174 5/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PRKCZ Q05513 1/20 0.34
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL15720270 0.89 FFAR1 (0.54) FFAR1NR3C2PDE5AXDHMIF
SCHEMBL15719992 0.88 FFAR1 (0.59) FFAR1PDE5AKMT2AMEN1L3MBTL1
SCHEMBL15719366 0.81 FFAR1 (0.61) FFAR1NR3C2PDE5AL3MBTL1MIF
SCHEMBL15720424 0.79 FFAR1 (0.47) FFAR1PDE5AKMT2AMEN1CYP1A2
SCHEMBL15720226 0.78 FFAR1 (0.65) FFAR1NR3C2PDE5AMIF
SCHEMBL15720346 0.78 FFAR1 (0.51) FFAR1MIFHDAC6
SCHEMBL15720243 0.76 FFAR1 (0.52) FFAR1KMT2AMEN1HPGD
SCHEMBL15720530 0.75 FFAR1 (0.35) FFAR1PDE5ADHODHKMT2AMEN1
SCHEMBL15720104 0.74 ALDH1A1 (0.36) FFAR1DHODHKMT2AMEN1CYP1A2
SCHEMBL15720123 0.72 FFAR1 (0.51) FFAR1

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-9656963-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 — — US disclosed
EP-2925726-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 — — EP disclosed
US-20160280659-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-09-29 — — US disclosed
EP-2925726-A1 DIHYDROPYRAZOLE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 — — EP disclosed
WO-2014078608-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 — — 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-20160280659-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR35, GPR65 FFAR1 40/4885NR3C2 69/4885PDE5A 439/4885

“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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