SCHEMBL2536

SCHEMBL2536

Cc1ccc(S(=O)(=O)O)cc1.O=C(CNc1ccccc1)OCc1ccccc1

nearest known ligand 0.57

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 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.48
ALDH1A1 P00352 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
PKM P14618 1/20 0.46
AR P10275 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3654908 0.94 LMNA (0.54) LMNAMAPTALDH1A1CA1CA2
SCHEMBL1455487 0.88 LMNA (0.60) LMNAMAPTALDH1A1CA1CA2
SCHEMBL28257721 0.87 LMNA (0.53) LMNAMAPTALDH1A1KMT2AGAA
SCHEMBL8508557 0.83 ALDH1A1 (0.64) LMNAMAPTALDH1A1CA1CA2
SCHEMBL10723935 0.83 NPC1 (0.44) LMNAMAPTALDH1A1CA1CA2
SCHEMBL62534 0.83 ALDH1A1 (0.59) LMNAMAPTALDH1A1KMT2AMAPK1
SCHEMBL4447797 0.82 LMNA (0.54) LMNAMAPTALDH1A1CA1CA2
SCHEMBL57630 0.82 LMNA (0.62) LMNAMAPTALDH1A1CA1CA2
SCHEMBL4455333 0.82 CA12 (0.49) LMNAALDH1A1CA1CA2KMT2A
SCHEMBL11660143 0.81 LMNA (0.53) LMNAMAPTALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 EP disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 WO disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed
US-4690936-A AMINO ACIDS, THIOESTER LINKAGE; ANGIOTENSIN INHIBITORS UNIVERSITY OF MIAMI (US) 1987-09-01 US disclosed
EP-0036713-B1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS UNIVERSITY OF MIAMI (US) 1984-01-18 EP disclosed
EP-0036713-A2 Angiotensin converting enzyme inhibitors UNIVERSITY OF MIAMI (US) 1981-09-30 EP 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-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 LMNA 1163/4885MAPT 1936/4885ALDH1A1 366/4885

“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.