SCHEMBL7187086

SCHEMBL7187086

CCOC(=O)CC(NC(=O)C(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 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.37
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TGFBR1 P36897 3/20 0.33
MAPT P10636 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
PKM P14618 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
BACE1 P56817 2/20 0.30
GAA P10253 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7196567 0.91 F2 (0.38) F2ALDH1A1L3MBTL1TGFBR1MAPT
SCHEMBL7190513 0.90 F2 (0.41) F2ALDH1A1L3MBTL1TGFBR1MAPT
SCHEMBL3838833 0.86 F2 (0.34) F2ALDH1A1TGFBR1MAPTPKM
SCHEMBL7197201 0.86 F2 (0.36) F2ALDH1A1TGFBR1MAPTPKM
SCHEMBL7194485 0.84 MAPT (0.36) F2ALDH1A1L3MBTL1TGFBR1MAPT
SCHEMBL7190085 0.82 F2 (0.36) F2ALDH1A1L3MBTL1TGFBR1MAPT
SCHEMBL7194810 0.79 POLB (0.46) ALDH1A1L3MBTL1MAPTPKMAURKA
SCHEMBL7788182 0.78 ALDH1A1 (0.43) F2ALDH1A1L3MBTL1MAPTF10
SCHEMBL7190508 0.76 F2 (0.42) F2ALDH1A1L3MBTL1TGFBR1MAPT
SCHEMBL7191817 0.75 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTPKMMEN1

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 1860/4885ALDH1A1 2010/4885L3MBTL1 1517/4885

“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.