SCHEMBL6523735

SCHEMBL6523735

COc1ccc([N+](=O)[O-])cc1CS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c(C)c(C(=O)O)c1C)C(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.54
CDK2 P24941 2/20 0.51
CCNE1 P24864 1/20 0.51
KDR P35968 7/20 0.47
PDGFRB P09619 5/20 0.47
FGFR1 P11362 4/20 0.47
EGFR P00533 2/20 0.47
FLT3 P36888 8/20 0.47
AURKB Q96GD4 4/20 0.47
MET P08581 2/20 0.47
AURKC Q9UQB9 2/20 0.47
AURKA O14965 1/20 0.47
FLT4 P35916 4/20 0.46
KIT P10721 3/20 0.46
ABL1 P00519 2/20 0.45
RET P07949 2/20 0.45
SRC P12931 2/20 0.45
PLK4 O00444 1/20 0.45
RIOK3 O14730 1/20 0.45
CASK O14936 1/20 0.45

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
SCHEMBL6283603 0.90 ALK (0.56) ALKCDK2CCNE1KDRPDGFRB
SCHEMBL142758 0.88 MET (0.58) ALKCDK2CCNE1KDRPDGFRB
SCHEMBL6520348 0.87 ALK (0.58) ALKCDK2CCNE1KDRPDGFRB
SCHEMBL6273855 0.87 ALK (0.56) ALKCDK2CCNE1KDRPDGFRB
SCHEMBL145930 0.86 KDR (0.66) ALKKDRPDGFRBFGFR1EGFR
SCHEMBL6272302 0.84 ALK (0.57) ALKCDK2CCNE1KDRPDGFRB
SCHEMBL2111024 0.83 ALK (0.72) ALKCDK2CCNE1KDRPDGFRB
SCHEMBL6272321 0.81 ALK (0.59) ALKCDK2CCNE1KDRPDGFRB
SCHEMBL143571 0.81 ALK (0.63) ALKCDK2CCNE1KDRPDGFRB
SCHEMBL6267000 0.81 ALK (0.64) ALKCDK2KDRPDGFRBFGFR1

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-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US claimed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US claimed
US-20140221455-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR Verva Pharmaceuticals, Inc. (AU) 2014-08-07 US disclosed
US-20050282733-A1 Differentiation modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2005-12-22 US disclosed
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 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-20050282733-A1 Differentiation modulating agents and uses therefor FGF1, FABP4, FGF2 ALK 3814/4885CDK2 2042/4885CCNE1 2584/4885
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 ALK 327/4885CDK2 160/4885CCNE1 1619/4885

“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.