SCHEMBL172384

SCHEMBL172384

Cc1ccc(O)c(OP)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
TP53 P04637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
ACHE P22303 1/20 0.43
CSNK2A1 P68400 1/20 0.42
MAOB P27338 1/20 0.40
AMY1A P0DUB6 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL6902550 0.81 TRPA1 (0.56) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL92236 0.79 MAOB (0.64) TRPA1TP53TDP1ALDH1A1KMT2A
SCHEMBL29819084 0.79 MAOB (0.64) TRPA1TP53TDP1ALDH1A1KMT2A
SCHEMBL17629436 0.79 MAOB (0.64) TRPA1TP53TDP1ALDH1A1KMT2A
Bromide SCHEMBL31123050 0.77 MAOB (0.61) TRPA1TP53TDP1ALDH1A1KMT2A
SCHEMBL27940951 0.77 MAOB (0.61) TRPA1TP53TDP1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28958540 0.77 MAOB (0.61) TRPA1TP53TDP1ALDH1A1LMNA
Ethane SCHEMBL28165560 0.77 MAOB (0.61) TRPA1TP53TDP1ALDH1A1KMT2A
SCHEMBL17210758 0.77 TRPA1 (0.52) TRPA1TP53TDP1ALOX15HSD17B10
SCHEMBL4403375 0.76 ACHE (0.46) TP53TDP1ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174947-B2 c-Met modulators and methods of use Exelixus, Inc. (US) 2015-11-03 US disclosed
US-8658654-B2 Receptor-type kinase modulators and methods of use SYMPHONY EVOLUTION, INC. (US) 2014-02-25 US disclosed
US-8476298-B2 c-Met modulators and method of use EXELIXIS, INC. (US) 2013-07-02 US disclosed
US-8178532-B2 c-Met modulators and method of use EXELIXIS, INC. (US) 2012-05-15 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090318373-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-12-24 US disclosed
US-7579473-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2009-08-25 US disclosed
US-7576074-B2 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-08-18 US disclosed
US-20090170896-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2009-07-02 US disclosed
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2009-04-23 US disclosed
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-10-18 US disclosed
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-09-27 US disclosed
US-20070054928-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2007-03-08 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 (6 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-20070054928-A1 c-Met modulators and methods of use FLT4, FLT1, MET TRPA1 3530/4885TP53 358/4885TDP1 3912/4885
US-20090318373-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 TRPA1 3334/4885TP53 414/4885TDP1 3469/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 TRPA1 4179/4885TP53 545/4885TDP1 4175/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 TRPA1 4142/4885TP53 648/4885TDP1 4201/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 TRPA1 4142/4885TP53 648/4885TDP1 4201/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 TRPA1 4179/4885TP53 545/4885TDP1 4175/4885

“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.