SCHEMBL7195684

SCHEMBL7195684

CCOC(=O)CCNC(=O)CC(c1ccccc1)c1cccc(NS(=O)(=O)c2cccc(NC(=N)N)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
PRSS1 P07477 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RCE1 Q9Y256 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.38
CA1 P00915 2/20 0.38

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
SCHEMBL7190239 0.89 ALDH1A1 (0.40) AURKAAURKBFNTAFNTBALDH1A1
SCHEMBL7188016 0.88 POLB (0.47) AURKAAURKBFNTAFNTBALDH1A1
SCHEMBL7193884 0.84 HIF1A (0.49) ALDH1A1LMNAMAPTCYP3A4CYP2C19
SCHEMBL7187012 0.81 MAPT (0.47) AURKAAURKBALDH1A1LMNAMAPT
SCHEMBL7862046 0.81 ITGB3 (0.45) MAPTF2F10PRSS1KMT2A
SCHEMBL7194809 0.79 F10 (0.43) AURKAAURKBLMNAMAPTF2
SCHEMBL7788182 0.78 ALDH1A1 (0.43) AURKAAURKBALDH1A1LMNAMAPT
SCHEMBL7190085 0.78 F2 (0.36) AURKAAURKBALDH1A1LMNAMAPT
SCHEMBL7788773 0.77 ITGB3 (0.42) ALDH1A1LMNAMAPTF2F10
SCHEMBL13715863 0.76 PKM (0.46) ALDH1A1LMNAMAPTF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6589972-B2 Anticancer agents, osteoporosis, arteriosclerosis, restnosis,vision defects BAYER AKTIENGESELLSCHAFT (DE) 2003-07-08 US disclosed
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
US-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists SCHOOP ANDREAS (DE) 2001-10-18 US disclosed
US-6291503-B1 β-phenylalanine derivatives as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO 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-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists ITGB4, ITGA4, ITGB2 AURKA 3427/4885AURKB 2510/4885FNTA 1461/4885

“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.