SCHEMBL2240656

SCHEMBL2240656

OCc1cccc(Sc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
HTR6 P50406 1/20 0.42
PRKCI P41743 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
GRIN2B Q13224 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
AGXT P21549 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ACP3 P15309 1/20 0.37
CYP19A1 P11511 1/20 0.37
S1PR1 P21453 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
SCHEMBL6250682 0.83 IDO1 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1680382 0.81 HTR2C (0.61) HTR2CHTR6PRKCISLC6A4DDB1
SCHEMBL11664820 0.79 XBP1 (0.51) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL4938425 0.78 PRKCI (0.61) HTR2CHTR6PRKCIDDB1CRBN
SCHEMBL19116399 0.77 HTR2C (0.45) HTR2CHTR6PRKCISLC6A4DDB1
SCHEMBL9326494 0.76 SLC6A2 (0.45) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL2257 0.75 TAAR1 (0.60) HTR2CPRKCAPRKCDSLC6A4GRIN2B
Hydrochloric Acid SCHEMBL9326715 0.75 MEN1 (0.45) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL30542002 0.75 AGXT (0.64) PRKCIAGXT
SCHEMBL2244213 0.75 AGXT (0.64) PRKCIAGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-8003648-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2011-08-23 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-7714008-B2 Heterocyclic GPR40 modulators AMGEN INC. (US) 2010-05-11 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
US-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-03-25 US disclosed
EP-2064193-A1 HETEROCYCLIC GPR40 MODULATORS Amgen, Inc (US) 2009-06-03 EP disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
US-20080090840-A1 Heterocyclic GPR40 Modulators AMGEN INC. (US) 2008-04-17 US disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 WO disclosed
WO-2008030520-A1 HETEROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2008-03-13 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 (2 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-20100075974-A1 HETEROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 HTR2C 544/4885HTR6 278/4885PRKCI 1683/4885
US-20080090840-A1 Heterocyclic GPR40 Modulators GPR119, GPR55, GPR65 HTR2C 544/4885HTR6 278/4885PRKCI 1683/4885

“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.