SCHEMBL7190085

SCHEMBL7190085

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
TGFBR1 P36897 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TMPRSS6 Q8IU80 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7190513 0.85 F2 (0.41) F2AURKAAURKBOPRM1OPRD1
SCHEMBL7196567 0.83 F2 (0.38) F2AURKAOPRM1OPRD1F10
SCHEMBL7187086 0.82 F2 (0.37) F2AURKAAURKBOPRM1OPRD1
SCHEMBL7197201 0.80 F2 (0.36) F2TGFBR1PKMALDH1A1LMNA
SCHEMBL3838833 0.79 F2 (0.34) F2TGFBR1PKMALDH1A1MAPT
SCHEMBL7188016 0.79 POLB (0.47) AURKAAURKBOPRM1OPRD1CYP3A4
SCHEMBL7194485 0.78 MAPT (0.36) F2TGFBR1ALDH1A1L3MBTL1MEN1
SCHEMBL7195684 0.78 AURKA (0.44) F2AURKAAURKBF10PRSS1
SCHEMBL7193884 0.75 HIF1A (0.49) CYP3A4CYP2C19PKMSMN1; SMN2ALDH1A1
SCHEMBL7190508 0.71 F2 (0.42) F2AURKAAURKBOPRM1OPRD1

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-6589972-B2 Anticancer agents, osteoporosis, arteriosclerosis, restnosis,vision defects BAYER AKTIENGESELLSCHAFT (DE) 2003-07-08 US 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

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 F2 1860/4885AURKA 3427/4885AURKB 2510/4885

“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.