SCHEMBL1133096

SCHEMBL1133096

COc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2cc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 9/20 0.59
MERTK Q12866 6/20 0.59
KDR P35968 4/20 0.52
PDGFRA P16234 4/20 0.52
MET P08581 8/20 0.51
ALDH1A1 P00352 1/20 0.47
SRC P12931 2/20 0.47
TGFBR1 P36897 2/20 0.47
PDGFRB P09619 1/20 0.47

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
SCHEMBL1133098 1.00 AXL (0.59) AXLMERTKKDRPDGFRAMET
SCHEMBL1132613 0.91 KDR (0.54) AXLMERTKKDRPDGFRAMET
SCHEMBL21776553 0.91 KDR (0.52) AXLMERTKKDRPDGFRAMET
SCHEMBL23754633 0.89 AXL (0.57) AXLMERTKKDRPDGFRAMET
SCHEMBL29487188 0.88 PDGFRA (0.59) AXLKDRPDGFRAMETSRC
SCHEMBL174159 0.88 PDGFRA (0.59) AXLKDRPDGFRAMETSRC
SCHEMBL22960033 0.87 KDR (0.50) AXLMERTKKDRPDGFRAMET
SCHEMBL13936618 0.87 PDGFRA (0.52) AXLMERTKKDRPDGFRAMET
SCHEMBL29487138 0.87 KDR (0.50) AXLMERTKKDRPDGFRAMET
SCHEMBL21200800 0.85 KDR (0.70) AXLMERTKKDRPDGFRAMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287155-B1 ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2013-07-17 EP disclosed
US-8304427-B2 Acylthiourea compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
EP-2287155-A1 ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE OF THE COMPOUND OR THE SALT Taiho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
US-20110034439-A1 ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-02-10 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-20110034439-A1 ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE THEREOF MET, HGF, STAT6 AXL 568/4885MERTK 150/4885KDR 296/4885

“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.