SCHEMBL7532944

SCHEMBL7532944

C[C@@H](CN1CCOCC1)NCc1ccc(-c2ccccc2)cc1S(=O)(=O)N[C@H](CC(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ITGB3 P05106 14/20 0.43
ITGAV P06756 14/20 0.43
ALDH1A1 P00352 1/20 0.41
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
EEF2K O00418 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
SCHEMBL7533714 1.00 ATM (0.43) ATML3MBTL1ITGB3ITGAVALDH1A1
SCHEMBL5878670 0.85 ITGB3 (0.53) ATML3MBTL1ITGB3ITGAVALDH1A1
SCHEMBL5878678 0.85 ITGB3 (0.53) ATML3MBTL1ITGB3ITGAVALDH1A1
SCHEMBL2005489 0.65 PKM (0.48) ALDH1A1
SCHEMBL11489064 0.64 ALDH1A1 (0.56) L3MBTL1ALDH1A1
SCHEMBL2949920 0.63 PKM (0.50) ALDH1A1
SCHEMBL13136011 0.62 GPR88 (0.54) ATMALDH1A1
SCHEMBL13626320 0.62 GPR88 (0.54) ATMALDH1A1
SCHEMBL12666562 0.62 GPR88 (0.52) ALDH1A1
SCHEMBL22229267 0.62 GPR88 (0.53) ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-02-07 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-20020016461-A1 Biphenyl and biphenyl-analogous compounds as integrin antagonists ITGB1, ITGB2, ITGB3 ATM 3722/4885L3MBTL1 1149/4885ITGB3 3/4885

“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.