SCHEMBL2494752

SCHEMBL2494752

CCC(CC(=O)OC)c1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
F2 P00734 7/20 0.39
F10 P00742 7/20 0.39
CXCR2 P25025 1/20 0.39
PRSS1 P07477 6/20 0.39
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2501280 1.00 FFAR1 (0.40) FFAR1MTNR1AMTNR1BF2F10
SCHEMBL2494755 1.00 FFAR1 (0.40) FFAR1MTNR1AMTNR1BF2F10
SCHEMBL2502795 0.89 FFAR1 (0.46) FFAR1MTNR1AMTNR1BCXCR2DRD2
SCHEMBL18506401 0.81 FFAR1 (0.46) FFAR1
SCHEMBL18490281 0.81 FFAR1 (0.46) FFAR1
SCHEMBL1820336 0.76 PTGS1 (0.53) CXCR2ALDH1A1
SCHEMBL7239668 0.76 ALDH1A1 (0.57) FFAR1ALDH1A1L3MBTL1
SCHEMBL22303151 0.76 ALDH1A1 (0.57) FFAR1ALDH1A1L3MBTL1
SCHEMBL2498458 0.75 F2 (0.46) F2F10PRSS1ALDH1A1DRD1
SCHEMBL2501601 0.75 F2 (0.46) F2F10PRSS1ALDH1A1DRD1

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-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 FFAR1 18/4885MTNR1A 60/4885MTNR1B 54/4885

“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.