SCHEMBL13602201

SCHEMBL13602201

CCCCS(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.48
KDR P35968 1/20 0.48
AURKB Q96GD4 1/20 0.48
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
BRD4 O60885 2/20 0.44
BRAF P15056 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
THRA P10827 1/20 0.43
AR P10275 1/20 0.42
KIT P10721 2/20 0.41

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
SCHEMBL13602183 0.92 BRAF (0.51) AURKAKDRAURKBHPGDBRD4
SCHEMBL13602232 0.89 BRAF (0.42) AURKAKDRAURKBHPGDBRAF
SCHEMBL13689971 0.88 AURKA (0.47) AURKAKDRAURKBHPGDLMNA
SCHEMBL13602187 0.87 HPGD (0.53) AURKAKDRAURKBHPGDLMNA
SCHEMBL13689738 0.80 AURKB (0.45) AURKAKDRAURKBHPGDBRD4
SCHEMBL13602227 0.78 MMP12 (0.41) HPGD
SCHEMBL8277193 0.78 ALDH1A1 (0.53) HPGDKDM4EALDH1A1
SCHEMBL13689975 0.77 BRAF (0.37) AURKAKDRAURKBHPGDBRD4
SCHEMBL13602268 0.77 HPGD (0.63) HPGDLMNABRD4ALDH1A1HSD17B10
SCHEMBL1018172 0.76 ACLY (0.56) AURKAKDRAURKBHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 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 (2 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 AURKA 2003/4885KDR 22/4885AURKB 1928/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B AURKA 3801/4885KDR 661/4885AURKB 1513/4885

“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.