SCHEMBL2961183

SCHEMBL2961183

CC(C)(C)c1cc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)on1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
RORC P51449 1/20 0.47
CNR2 P34972 1/20 0.46
ALOX5 P09917 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PPARD Q03181 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
RAF1 P04049 1/20 0.45
FLT3 P36888 1/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
SMPD1 P17405 1/20 0.44
MCHR1 Q99705 2/20 0.44

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
SCHEMBL13234593 0.85 RAF1 (0.64) MAPK14NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13200803 0.84 KMT2A (0.61) MAPK14CNR2SMN1; SMN2HPGDALDH1A1
SCHEMBL13200487 0.83 ALDH1A1 (0.45) MAPK14CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL13200489 0.82 CNR2 (0.50) MAPK14CNR2ALDH1A1NR1H4RAF1
SCHEMBL13200553 0.82 RAB9A (0.57) MAPK14NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13200476 0.82 FLT3 (0.65) MAPK14NPC1RAB9ARAF1FLT3
SCHEMBL1257126 0.79 ALDH1A1 (0.53) MAPK14CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL13200823 0.79 CNR2 (0.53) MAPK14CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL13199941 0.79 MAPK14 (0.65) MAPK14CNR2NPC1RAB9AALDH1A1
SCHEMBL13200504 0.79 MAPK14 (0.70) MAPK14KMT2AMEN1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
US-20050261315-A1 Amide derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION 2005-11-24 US disclosed
US-20050171171-A1 Amide derivatives as FLT-3 modulators AMBIT BIOSCIENCES CORPORATION 2005-08-04 US disclosed
US-20050171172-A1 Amide derivatives as PDGFR modulators AMBIT BIOSCIENCES CORPORATION 2005-08-04 US disclosed
US-20050165074-A1 Amide derivatives as C-KIT modulators AMBIT BIOSCIENCES CORPORATION 2005-07-28 US disclosed
US-20050148605-A1 Amide derivatives as ABL modulators AMBIT BIOSCIENCES CORPORATION 2005-07-07 US disclosed
WO-2005048953-A2 AMIDE DERIVATIVES AS KINASE MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2005-06-02 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 (5 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-20050261315-A1 Amide derivatives as kinase modulators MAP3K20, MAP3K1, MAP3K2 MAPK14 262/4885RORC 1170/4885CNR2 832/4885
US-20050171171-A1 Amide derivatives as FLT-3 modulators FLT4, FLT1, FLT3 MAPK14 1721/4885RORC 1354/4885CNR2 2702/4885
US-20050165074-A1 Amide derivatives as C-KIT modulators KIT, PRKCH, PRKCE MAPK14 1295/4885RORC 1334/4885CNR2 1183/4885
US-20050171172-A1 Amide derivatives as PDGFR modulators PDGFRA, PDGFRB, PDGFA MAPK14 1991/4885RORC 1225/4885CNR2 234/4885
US-20050148605-A1 Amide derivatives as ABL modulators ABL2, ABL1, PDGFRA MAPK14 920/4885RORC 743/4885CNR2 977/4885

“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.