SCHEMBL12335804

SCHEMBL12335804

Cc1[nH]c(/C=C2\C(=O)Nc3ccc([S+](C)[O-])cc32)c(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.53
KDR P35968 7/20 0.51
PDGFRB P09619 5/20 0.49
RET P07949 5/20 0.49
FGFR1 P11362 3/20 0.48
EGFR P00533 1/20 0.48
PDPK1 O15530 1/20 0.47
FLT3 P36888 1/20 0.47
SRC P12931 1/20 0.46
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45
TLK2 Q86UE8 2/20 0.45
AKT2 P31751 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
SCHEMBL12336334 0.88 ALK (0.72) ALKKDRPDGFRBRETFGFR1
SCHEMBL15202695 0.81 KDR (0.65) ALKKDRPDGFRBRETFGFR1
SCHEMBL15203009 0.80 KDR (0.61) ALKKDRPDGFRBRETFGFR1
SCHEMBL12335933 0.80 PRKAA1 (0.76) ALKKDRPDGFRBRETFGFR1
SCHEMBL12335941 0.80 MET (0.64) ALKKDRPDGFRBRETFGFR1
SCHEMBL12335938 0.80 KDR (0.75) ALKKDRPDGFRBRETFGFR1
SCHEMBL12335796 0.79 SRC (0.43) ALKKDRPDGFRBRETFGFR1
SCHEMBL12335795 0.79 PDGFRB (0.45) ALKKDRPDGFRBRETFGFR1
SCHEMBL15202702 0.78 AKT2 (0.66) ALKKDRPDGFRBFGFR1PDPK1
SCHEMBL12335950 0.78 KDR (0.77) ALKKDRPDGFRBRETFGFR1

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 ALK 4816/4885KDR 4527/4885PDGFRB 3455/4885
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease CLN6, PSEN2, CHAT ALK 4816/4885KDR 4527/4885PDGFRB 3455/4885

“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.