SCHEMBL3930879

SCHEMBL3930879

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

nearest known ligand 0.46

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 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KIF11 P52732 5/20 0.44
KMT2A Q03164 3/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
BACE1 P56817 1/20 0.40
RECQL P46063 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL1307366 0.88 ALDH1A1 (0.44) CYP2D6MAPK1ALDH1A1KIF11KMT2A
SCHEMBL4199918 0.81 ALPI (0.52) KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL4199926 0.81 ALPI (0.52) KIF11SLC1A3SLC1A2SLC1A1
Phenylalanine SCHEMBL10429981 0.80 SLC7A5 (0.63) CYP2D6MAPK1ALDH1A1KIF11GAA
Dl-Phenylalanine SCHEMBL28023088 0.80 SLC7A5 (0.63) CYP2D6MAPK1ALDH1A1KIF11GAA
SCHEMBL3930881 0.80 ALDH1A1 (0.45) ALDH1A1KIF11KMT2ACA12CA9
SCHEMBL18075129 0.79 KIF11 (0.48) CYP2D6MAPK1ALDH1A1KIF11CYP1A2
Phenylalanine SCHEMBL20267852 0.78 SLC7A5 (0.61) CYP2D6MAPK1ALDH1A1KIF11GAA
D-Phenylalanine SCHEMBL20267959 0.78 SLC7A5 (0.61) CYP2D6MAPK1ALDH1A1KIF11GAA
Dl-Phenylalanine SCHEMBL20267856 0.78 SLC7A5 (0.61) CYP2D6MAPK1ALDH1A1KIF11GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203918-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-13 US disclosed
US-7514578-B2 Method for producing enantiomeric form of 2,3-diaminopropionic acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-04-07 US disclosed
US-20070238778-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-10-11 US 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-20090203918-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES DDC, ADM2, MTHFD2 CYP2D6 49/4885MAPK1 3619/4885ALDH1A1 130/4885
US-20070238778-A1 METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2,3-DIAMINOPROPIONIC ACID DERIVATIVES DDC, DAO, ADM2 CYP2D6 74/4885MAPK1 3753/4885ALDH1A1 171/4885

“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.