SCHEMBL2129444

SCHEMBL2129444

CCCCC(CO)(CCc1ccc(Sc2cc(C(F)(F)F)ccc2OC(=O)OC(C)(C)C)cc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.32
CNR2 P34972 2/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PPARD Q03181 1/20 0.31
IDO1 P14902 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL2129437 1.00 MC4R (0.32) MC4RCNR2MRGPRX4PTGDR2PPARD
SCHEMBL2131300 0.95 PTGDR2 (0.32) MRGPRX4PTGDR2IDO1
SCHEMBL2131294 0.95 PTGDR2 (0.32) MRGPRX4PTGDR2IDO1
SCHEMBL2130049 0.92 PPARG (0.33) MC4RCNR2MRGPRX4PTGDR2PPARD
SCHEMBL2130043 0.92 PPARG (0.33) MC4RCNR2MRGPRX4PTGDR2PPARD
SCHEMBL10104873 0.90 S1PR1 (0.32) IDO1
SCHEMBL2130428 0.89 MC4R (0.31) MC4RPPARG
SCHEMBL2130436 0.89 MC4R (0.31) MC4RPPARG
SCHEMBL2129602 0.88 AAK1 (0.34) MRGPRX4PTGDR2IDO1
SCHEMBL2129594 0.88 AAK1 (0.34) MRGPRX4PTGDR2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
EP-2452944-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US 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-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 MC4R 1259/4885CNR2 212/4885MRGPRX4 62/4885

“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.