SCHEMBL7103533

SCHEMBL7103533

N[C@@H](Cc1cn(Cc2c(Cl)cccc2Cl)cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CPB2 Q96IY4 10/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRHDE Q9UKU6 1/20 0.38
CPB1 P15086 4/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL7098286 0.86 ALDH1A1 (0.38) CYP1A2CPB2ALDH1A1NPSR1TRHDE
SCHEMBL289025 0.84 ALPI (0.53) CYP1A2CPB2TRHDECPB1ALPI
SCHEMBL4956555 0.84 ALPI (0.53) CYP1A2CPB2TRHDECPB1ALPI
SCHEMBL41832 0.84 ALPI (0.53) CYP1A2CPB2TRHDECPB1ALPI
SCHEMBL19508937 0.79 CPB2 (0.43) CPB2TRHDECPB1SLC7A5
SCHEMBL2489370 0.78 CPB2 (0.46) CYP1A2CPB2CPB1ALPIPKM
SCHEMBL29057557 0.76 SLC7A5 (0.50) CPB2TRHDEALPIPKMPTGS1
SCHEMBL14523660 0.76 CPB2 (0.45) CYP1A2CPB2CPB1ALPIPKM
SCHEMBL7741446 0.76 CPB2 (0.61) CYP1A2CPB2CPB1
SCHEMBL8760849 0.76 CPB2 (0.61) CYP1A2CPB2CPB1

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
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-6596752-B1 Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. TANABE SEIYAKU CO., LTD. (JP) 2003-07-22 US disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 US disclosed
US-6482849-B1 Inhibitors of α4β1 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2002-11-19 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 (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-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 CYP1A2 1888/4885CPB2 488/4885ALDH1A1 100/4885

“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.