SCHEMBL20746509

SCHEMBL20746509

CN(C)C[C@@H](O)CO.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.53

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
CYP2C19 P33261 4/20 0.53
CYP1A2 P05177 2/20 0.53
KMT2A Q03164 3/20 0.52
ATM Q13315 1/20 0.49
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 2/20 0.39
AGER Q15109 1/20 0.39

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
SCHEMBL20746511 1.00 CYP2C19 (0.53) CYP2C19CYP1A2KMT2AATMMAPT
SCHEMBL22655999 1.00 CYP2C19 (0.53) CYP2C19CYP1A2KMT2AATMMAPT
Glycerin SCHEMBL3630101 0.87 ALDH1A1 (0.46) CYP2C19CYP1A2KMT2AMAPTLMNA
Glycerin SCHEMBL2058190 0.87 ALDH1A1 (0.46) CYP2C19CYP1A2KMT2AMAPTLMNA
Glycerin SCHEMBL28301031 0.87 ALDH1A1 (0.46) CYP2C19CYP1A2KMT2AMAPTLMNA
Glycerin SCHEMBL11517976 0.82 ALDH1A1 (0.43) CYP2C19CYP1A2KMT2AMAPTLMNA
SCHEMBL6309824 0.81 CYP1A2 (0.52) CYP2C19CYP1A2KMT2AATMMAPT
SCHEMBL2057584 0.81 THRB (0.43) CYP2C19CYP1A2KMT2AMAPTLMNA
SCHEMBL6317104 0.81 CYP1A2 (0.52) CYP2C19CYP1A2KMT2AATMMAPT
SCHEMBL6361661 0.81 CYP1A2 (0.52) CYP2C19CYP1A2KMT2AATMMAPT

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-11364248-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2022-06-21 US disclosed
US-20200360399-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2020-11-19 US disclosed
EP-3668878-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN Amgen Inc. (US) 2020-06-24 EP disclosed
WO-2019036575-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2019-02-21 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-20200360399-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 CYP2C19 4127/4885CYP1A2 3986/4885KMT2A 1644/4885
US-11364248-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 CYP2C19 4127/4885CYP1A2 3986/4885KMT2A 1644/4885

“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.