SCHEMBL2541670

SCHEMBL2541670

Cc1ccc(S(=O)(=O)O)cc1.N[C@H](C(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.47

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 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.43
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
LMNA P02545 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM3 P20309 3/20 0.41
BLM P54132 3/20 0.41
CYP1A2 P05177 2/20 0.41
THRB P10828 2/20 0.41
PMP22 Q01453 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL1287308 0.84 CYP2D6 (0.46) CYP2D6MAPK1HTTLMNACYP1A2
SCHEMBL1491633 0.83 CYP2D6 (0.50) CYP2D6HTTCHRM2CHRM1LMNA
SCHEMBL1491629 0.83 CYP2D6 (0.50) CYP2D6HTTCHRM2CHRM1LMNA
SCHEMBL8199654 0.83 CYP2D6 (0.50) CYP2D6HTTCHRM2CHRM1LMNA
SCHEMBL2539307 0.83 TYR (0.50) CYP2D6MAPK1LMNACYP1A2CYP2C9
SCHEMBL1287302 0.83 CYP2D6 (0.45) CYP2D6MAPK1HTTCHRM2CHRM1
SCHEMBL1287218 0.82 TYR (0.49) CYP2D6MAPK1LMNACYP1A2CYP2C9
SCHEMBL720340 0.82 CYP2D6 (0.49) CYP2D6HTTCHRM2CHRM1LMNA
Cyclopentane SCHEMBL4965591 0.82 CYP2D6 (0.49) CYP2D6HTTCHRM2CHRM1LMNA
SCHEMBL720740 0.82 CYP2D6 (0.49) CYP2D6HTTCHRM2CHRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 EP disclosed
EP-2013175-B1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2016-11-09 EP disclosed
US-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US disclosed
EP-2077999-B1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD (GB) 2014-07-30 EP disclosed
US-8044211-B2 P38 MAP kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-10-25 US disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
US-20100267774-A1 P38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-10-21 US disclosed
EP-2077999-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Chroma Therapeutics Limited (GB) 2009-07-15 EP disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
WO-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
WO-2008053158-A1 INHIBITORS OF P38 MITOGEN-ACTIVATED PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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 (3 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-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE H1-2, HDAC1, H1-0 CYP2D6 1891/4885MAPK1 1045/4885HTT 1796/4885
US-20090099185-A1 P38 Map Kinase Inhibitors MAPK1, CNKSR1, MAPK3 CYP2D6 1270/4885MAPK1 1/4885HTT 4507/4885
US-20100267774-A1 P38 MAP KINASE INHIBITORS MAPK1, MAPK3, MAPK12 CYP2D6 1189/4885MAPK1 1/4885HTT 4647/4885

“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.