SCHEMBL3838833

SCHEMBL3838833

C=CCOC(=O)NC(CC(=O)OCC)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 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
TGFBR1 P36897 3/20 0.31
PKM P14618 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
SCHEMBL3838832 0.88 F2 (0.35) F2ALDH1A1MAPTTGFBR1PKM
SCHEMBL7196567 0.88 F2 (0.38) F2ALDH1A1MAPTTGFBR1
SCHEMBL7190513 0.87 F2 (0.41) F2ALDH1A1MAPTTGFBR1PKM
SCHEMBL7187086 0.86 F2 (0.37) F2ALDH1A1MAPTTGFBR1PKM
SCHEMBL7197201 0.85 F2 (0.36) F2ALDH1A1MAPTTGFBR1PKM
SCHEMBL7194485 0.83 MAPT (0.36) F2ALDH1A1MAPTTGFBR1
SCHEMBL3838836 0.83 TGFBR1 (0.34) ALDH1A1MAPTTGFBR1PKM
SCHEMBL3809843 0.80 POLB (0.40) ALDH1A1MAPTPKM
SCHEMBL7190085 0.79 F2 (0.36) F2ALDH1A1MAPTTGFBR1PKM
SCHEMBL3811615 0.76 ALDH1A1 (0.53) ALDH1A1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 EP disclosed
EP-1235595-B1 INTEGRIN-MEDIATED DRUG TARGETING ALBERS MARKUS (DE) 2009-08-05 EP disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20060189544-A1 Integrin-Mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 US disclosed
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP disclosed
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 WO 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-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 F2 2178/4885ALDH1A1 1836/4885MAPT 4081/4885

“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.