SCHEMBL4592441

SCHEMBL4592441

NC(=O)C(Oc1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.43
PPARA Q07869 10/20 0.43
PPARG P37231 8/20 0.43
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
KMT2A Q03164 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL5545790 0.83 BCAT2 (0.46) BCAT2PPARAPPARGFGFR1SRC
SCHEMBL2393244 0.82 BCAT2 (0.44) BCAT2PPARAPPARGGAAFGFR1
SCHEMBL26978821 0.77 PPARA (0.49) PPARAPPARGCYP1A2GAACYP2C9
SCHEMBL30585530 0.77 PPARA (0.49) PPARAPPARGCYP1A2GAACYP2C9
SCHEMBL27341635 0.77 SLC1A3 (0.44) BCAT2PPARAPPARGCYP1A2CYP2C9
SCHEMBL32665686 0.76 ALDH1A1 (0.49) PPARAPPARGCYP1A2GAACYP2C9
SCHEMBL1258979 0.75 CHRM1 (0.51) CYP1A2PKMSRCKMT2A
SCHEMBL24469712 0.75 GAA (0.46) PPARAPPARGCYP1A2GAACYP2C9
SCHEMBL30585539 0.75 ALDH1A1 (0.50) PPARAPPARGCYP1A2GAACYP2C9
SCHEMBL31532232 0.75 GAA (0.46) PPARAPPARGCYP1A2GAACYP2C9

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
EP-1663204-B1 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2014-05-07 EP disclosed
US-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
EP-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 US disclosed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP disclosed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB BCAT2 3045/4885PPARA 4738/4885PPARG 4436/4885

“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.