SCHEMBL2130022

SCHEMBL2130022

CCC[C@@](C=O)(CCc1ccc(Sc2cc(C(F)(F)F)ccc2OCOC)cc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
MRGPRX4 Q96LA9 5/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
CNR2 P34972 1/20 0.31
AAK1 Q2M2I8 2/20 0.30
MC4R P32245 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
IDO1 P14902 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
SCHEMBL2130031 1.00 PTGDR2 (0.33) PTGDR2MRGPRX4PPARGPPARDPPARA
SCHEMBL10104902 0.91 AAK1 (0.31) AAK1IDO1
SCHEMBL3695593 0.91 PTGDR2 (0.30) PTGDR2
SCHEMBL3695592 0.91 PTGDR2 (0.30) PTGDR2
SCHEMBL15354710 0.91 PTGDR2 (0.30) PTGDR2
SCHEMBL2129729 0.91 PTGDR2 (0.30) PTGDR2
SCHEMBL15283690 0.90 ERN1 (0.31) IDO1
SCHEMBL9999907 0.90 ERN1 (0.31) IDO1
SCHEMBL2128839 0.89 MRGPRX4 (0.33) PTGDR2MRGPRX4PPARDAAK1MC4R
SCHEMBL2128848 0.89 MRGPRX4 (0.33) PTGDR2MRGPRX4PPARDAAK1MC4R

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
EP-2452944-B1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING THEM AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2014-09-10 EP disclosed
US-8569270-B2 Diphenyl sulfide derivatives and medicines containing same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
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 PTGDR2 75/4885MRGPRX4 62/4885PPARG 1074/4885

“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.