SCHEMBL12335806

SCHEMBL12335806

Cc1[nH]c(/C=C2\C(=O)Nc3ccc([S+](C)[O-])c(C)c32)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.43
PDGFRB P09619 9/20 0.41
ALK Q9UM73 4/20 0.40
SRC P12931 1/20 0.38
FGFR1 P11362 7/20 0.37
RET P07949 4/20 0.37
FLT3 P36888 3/20 0.37
AURKA O14965 2/20 0.37
FLT1 P17948 2/20 0.37
MAP4K2 Q12851 2/20 0.37
STK3 Q13188 2/20 0.37
AURKB Q96GD4 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PDPK1 O15530 2/20 0.37
GAK O14976 1/20 0.37
RPS6KA5 O75582 1/20 0.37
RPS6KA4 O75676 1/20 0.37
LATS1 O95835 1/20 0.37
CSNK2A2 P19784 1/20 0.37
MAP2K2 P36507 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
SCHEMBL15202693 0.81 KDR (0.56) KDRPDGFRBALKSRCFGFR1
SCHEMBL12336822 0.80 PRKAA1 (0.63) KDRPDGFRBALKSRCFGFR1
SCHEMBL12335805 0.78 KDR (0.70) KDRPDGFRBALKSRCFGFR1
SCHEMBL12335804 0.78 ALK (0.53) KDRPDGFRBALKSRCFGFR1
SCHEMBL12335798 0.75 RET (0.60) KDRPDGFRBALKSRCFGFR1
SCHEMBL5358801 0.69 KDR (0.53) KDRPDGFRBALKFGFR1RET
SCHEMBL13052166 0.69 KDR (0.80) KDRPDGFRBALKSRCFGFR1
SCHEMBL5367053 0.68 PDGFRB (0.50) KDRPDGFRBALKFGFR1RET
SCHEMBL12336334 0.67 ALK (0.72) KDRPDGFRBALKFGFR1RET
SCHEMBL13101857 0.66 ALK (0.46) KDRPDGFRBALKSRCFGFR1

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-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 US disclosed
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 US disclosed
WO-2011119777-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-29 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-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE CLN6, PSEN2, CHAT KDR 4527/4885PDGFRB 3455/4885ALK 4816/4885
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease CLN6, PSEN2, CHAT KDR 4527/4885PDGFRB 3455/4885ALK 4816/4885

“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.