SCHEMBL5840674

SCHEMBL5840674

O=C1Nc2ccc(S(=O)(=O)O)cc2/C1=C/c1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.50
SIRT1 Q96EB6 1/20 0.49
NTRK1 P04629 3/20 0.48
SYK P43405 3/20 0.48
SRC P12931 6/20 0.47
PDGFRB P09619 3/20 0.47
KDR P35968 3/20 0.47
FGFR1 P11362 2/20 0.47
MAP4K1 Q92918 3/20 0.47
MEN1 O00255 1/20 0.45
RGS12 O14924 1/20 0.45
NPC1 O15118 1/20 0.45
GMNN O75496 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
FYN P06241 1/20 0.45
YES1 P07947 1/20 0.45
LYN P07948 1/20 0.45
RET P07949 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
SCHEMBL5840677 1.00 PDPK1 (0.50) PDPK1SIRT1NTRK1SYKSRC
Dimethylamine SCHEMBL7991352 0.96 PDPK1 (0.49) PDPK1SIRT1NTRK1SYKSRC
SCHEMBL6394717 0.89 PDPK1 (0.65) PDPK1SIRT1NTRK1SYKSRC
SCHEMBL6394720 0.89 PDPK1 (0.65) PDPK1SIRT1NTRK1SYKSRC
SCHEMBL5179933 0.86 SRC (0.63) PDPK1SIRT1NTRK1SYKSRC
SCHEMBL5179937 0.86 SRC (0.63) PDPK1SIRT1NTRK1SYKSRC
SCHEMBL5182990 0.86 SRC (0.63) PDPK1SIRT1NTRK1SYKSRC
SCHEMBL5182993 0.86 SRC (0.63) PDPK1SIRT1NTRK1SYKSRC
SCHEMBL5842604 0.85 CASP3 (0.58) PDPK1SIRT1NTRK1SYKSRC
SCHEMBL5842606 0.85 CASP3 (0.58) PDPK1SIRT1NTRK1SYKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2004-07-29 US claimed
EP-1294688-A2 INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2003-03-26 EP claimed
US-20020052369-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2002-05-02 US claimed
WO-2001094312-A2 INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-12-13 WO claimed
US-7071332-B2 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. (US) 2006-07-04 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 (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-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors PHKA1, PHKA2, PDPK1 PDPK1 3/4885SIRT1 1937/4885NTRK1 1206/4885
US-20020052369-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors PHKA1, PHKA2, PDPK1 PDPK1 3/4885SIRT1 1937/4885NTRK1 1206/4885

“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.