SCHEMBL2129305

SCHEMBL2129305

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

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.31
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 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
SCHEMBL3704113 0.94 PPARG (0.31) PPARGHTR2ASLC6A4KCNH2
SCHEMBL3704110 0.94 PPARG (0.31) PPARGHTR2ASLC6A4KCNH2
SCHEMBL10104909 0.91 S1PR1 (0.30)
SCHEMBL2130605 0.90 AAK1 (0.33) HTR2ASLC6A4KCNH2
SCHEMBL2131502 0.90 PTGDR2 (0.33) PPARG
SCHEMBL2131508 0.90 PTGDR2 (0.33) PPARG
SCHEMBL15296506 0.90 IDO1 (0.30)
SCHEMBL2129307 0.89 MRGPRX4 (0.31) PPARG
SCHEMBL15354703 0.84 MRGPRX4 (0.31)
SCHEMBL2130022 0.84 PTGDR2 (0.33) PPARG

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-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
US-20120178711-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2012-07-12 US 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 (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-20120178711-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, DSC1, SI PPARG 3037/4885HTR2A 4339/4885SLC6A4 2446/4885
US-20120101068-A1 DIPHENYL SULFIDE DERIVATIVES AND MEDICINES CONTAINING SAME AS ACTIVE INGREDIENT S1PR3, S1PR1, S1PR2 PPARG 1074/4885HTR2A 351/4885SLC6A4 971/4885

“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.