SCHEMBL17593352

SCHEMBL17593352

OCC(O)CCc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ MMP12 P39900 3/20 0.40
▸ MMP13 P45452 3/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ STAT3 P40763 1/20 0.36

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
SCHEMBL17593377 1.00 TAAR1 (0.45) TAAR1HTR2AMMP12MMP13MMP2
SCHEMBL17593351 1.00 TAAR1 (0.45) TAAR1HTR2AMMP12MMP13MMP2
SCHEMBL7277805 0.89 TAAR1 (0.50) TAAR1HTR2AMMP12MMP13MMP2
SCHEMBL11753264 0.81 ESR1 (0.54) TAAR1KMT2AADRB2
SCHEMBL8177291 0.81 TAAR1 (0.46) TAAR1HTR2AHSP90AA1KMT2APOLB
SCHEMBL11471420 0.79 CYP1A2 (0.45) TAAR1MMP12MMP13MMP2MMP9
SCHEMBL19321712 0.79 CYP1A2 (0.45) TAAR1MMP12MMP13MMP2MMP9
SCHEMBL21509220 0.79 SPHK2 (0.42) MMP12MMP13MMP2MMP9MMP14
SCHEMBL16314688 0.79 TAAR1 (0.45) TAAR1MMP12MMP13MMP2MMP9
SCHEMBL19321715 0.79 CYP1A2 (0.45) TAAR1MMP12MMP13MMP2MMP9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191453-B1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 — — EP disclosed
EP-3191453-B1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 — — EP disclosed
US-10336684-B2 Phenyl-(aza)cycloalkyl carboxylic acid GPR120 modulators BRISTOL=MYERS SQUIBB COMPANY (US) 2019-07-02 — — US disclosed
US-20180319737-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-11-08 — — US disclosed
US-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-16 — — US disclosed
EP-3191453-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS Bristol-Myers Squibb Company (US) 2017-07-19 — — EP disclosed
WO-2016040225-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 — — 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 (3 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-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS GPR88, GPR55, GPR180 TAAR1 150/4885HTR2A 285/4885MMP12 3301/4885
US-20180319737-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS GPR88, GPR55, GPR180 TAAR1 150/4885HTR2A 285/4885MMP12 3301/4885
US-10336684-B2 Phenyl-(aza)cycloalkyl carboxylic acid GPR120 modulators GPR88, GPR55, GPR180 TAAR1 150/4885HTR2A 285/4885MMP12 3301/4885

“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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