SCHEMBL6708903

SCHEMBL6708903

Cc1cc(NC(=O)c2conc2CCC(=O)O)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 6/20 0.45
KDR P35968 5/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
CBLB Q13191 2/20 0.40
GCGR P47871 1/20 0.39
SORT1 Q99523 1/20 0.38
PTGES O14684 1/20 0.38
F2R P25116 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GALK1 P51570 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37

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
SCHEMBL6710645 0.84 FLT1 (0.46) FLT1KDRCBLBSORT1PTGES
SCHEMBL6707863 0.82 NPC1 (0.47) PTGDR2GCGRPPARGPPARDPPARA
SCHEMBL6707284 0.82 FLT1 (0.51) FLT1KDRSORT1LMNAHTT
SCHEMBL6707907 0.81 FLT1 (0.45) FLT1KDRPTGDR2S1PR1S1PR3
SCHEMBL6707158 0.78 KIF11 (0.43) NR1H4
SCHEMBL9182578 0.71 RAB9A (0.69) FLT1KDRLMNAHTTSMN1; SMN2
SCHEMBL6710587 0.69 FLT1 (0.64) FLT1KDRALDH1A1LMNAHTT
SCHEMBL6709302 0.69 FLT1 (0.51) FLT1KDRSORT1PTGESLMNA
SCHEMBL8376768 0.68 FLT1 (0.53) FLT1KDRALDH1A1LMNAHTT
SCHEMBL6707256 0.68 MEN1 (0.52) SORT1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders SUGEN, INC. 2004-05-27 US disclosed
US-6649635-B2 For therapy of cancer SUGEN, INC. 2003-11-18 US disclosed
US-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders MCMAHON GERALD (US) 2002-05-30 US disclosed
EP-1012150-A4 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN INC (US) 2002-05-29 EP disclosed
US-6316479-B1 ANTICANCER AGENTS SUGEN, INC. 2001-11-13 US disclosed
EP-1012150-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS Sugen, Inc. (US) 2000-06-28 EP disclosed
WO-1998052944-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN, INC. (US) 1998-11-26 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 (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-20020065283-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC FLT1 727/4885KDR 633/4885PTGDR2 3103/4885
US-20040102489-A1 Heteroarylcarboxamide compounds active against protein tyrosine kinase related disorders ABL1, ERBB2, PRKDC FLT1 727/4885KDR 633/4885PTGDR2 3103/4885

“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.