SCHEMBL4447797

SCHEMBL4447797

Cc1ccc(S(=O)(=O)O)cc1.NCC(=O)NCC(=O)OCc1ccccc1

nearest known ligand 0.54

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 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CA2 P00918 5/20 0.44
CA1 P00915 4/20 0.44
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.42
AR P10275 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
SCHEMBL57630 0.87 LMNA (0.62) LMNAMAPTCYP1A2CYP2C9KMT2A
SCHEMBL10499588 0.86 ALDH1A1 (0.52) MAPTCYP1A2CYP2C9KMT2AALDH1A1
SCHEMBL1455487 0.84 LMNA (0.60) LMNAMAPTCYP1A2CYP2C9KMT2A
SCHEMBL5538472 0.84 L3MBTL1 (0.54) LMNAMAPTCYP1A2CYP2C9KMT2A
SCHEMBL18281078 0.83 LMNA (0.68) LMNAMAPTCYP1A2CYP2C9KMT2A
SCHEMBL717926 0.83 LMNA (0.68) LMNAMAPTCYP1A2CYP2C9KMT2A
Hydrochloric Acid SCHEMBL715023 0.83 L3MBTL1 (0.53) LMNAMAPTCYP1A2CYP2C9KMT2A
SCHEMBL2536 0.82 LMNA (0.57) LMNAMAPTCYP1A2CYP2C9KMT2A
SCHEMBL1177430 0.81 LMNA (0.62) LMNAMAPTCYP1A2CYP2C9KMT2A
SCHEMBL26287992 0.81 L3MBTL1 (0.51) LMNAMAPTCYP1A2CYP2C9KMT2A

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-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-0498268-A2 5-Oxo-L-proline derivatives and pharmaceutical use thereof POLI INDUSTRIA CHIMICA S.p.A. (IT) 1992-08-12 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 1936/4885CYP1A2 81/4885

“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.