SCHEMBL3038313

SCHEMBL3038313

Cc1ccc(S(=O)(=O)O)cc1.Oc1ccc(N2CCC(OCc3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
CHRM4 P08173 2/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
SCN9A Q15858 7/20 0.45
SCN4A P35499 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN3A Q9NY46 1/20 0.43
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
LIPE Q05469 2/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2955257 0.88 KCNH2 (0.47) CHRM4BCHEACHEEPHX1EPHX2
SCHEMBL3038315 0.88 CARM1 (0.49) CARM1PRMT6CHRM4BCHEACHE
SCHEMBL2095960 0.87 CARM1 (0.58) CARM1PRMT6CHRM4SCN9ASCN4A
SCHEMBL15441934 0.86 GAA (0.48) CHRM4BCHEACHELIPEKCNH2
SCHEMBL27154213 0.81 BCHE (0.52) CARM1PRMT6BCHEACHESCN9A
SCHEMBL28786004 0.77 CARM1 (0.59) CARM1PRMT6CHRM4BCHEACHE
SCHEMBL2357937 0.76 KCNH2 (0.47) BCHEACHEEPHX1EPHX2KCNH2
SCHEMBL19809288 0.76 KCNH2 (0.47) BCHEACHEEPHX1EPHX2KCNH2
SCHEMBL27779963 0.75 CARM1 (0.52) CARM1PRMT6CHRM4SCN9ASCN4A
SCHEMBL13278969 0.74 KCNH2 (0.53) CARM1PRMT6CHRM4EPHX2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552188-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-21 US disclosed
US-8344148-B2 Epoxy compound and method for manufacturing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-01 US disclosed
EP-2144899-B1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMA CO LTD (JP) 2011-12-07 EP disclosed
US-20100217005-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
EP-2144899-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME Otsuka Pharmaceutical Co., Ltd. (JP) 2010-01-20 EP disclosed
WO-2008140090-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 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-20130072683-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME SQLE, CYP2E1, CYP1A1 CARM1 359/4885PRMT6 1134/4885CHRM4 2522/4885
US-20100217005-A1 EPOXY COMPOUND AND METHOD FOR MANUFACTURING THE SAME SQLE, CYP2E1, CYP1A1 CARM1 409/4885PRMT6 1210/4885CHRM4 2498/4885

“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.