SCHEMBL12336333

SCHEMBL12336333

Cc1[nH]c(/C=C2\C(=O)Nc3ccc([S+](C)[O-])cc32)c(C)c1C(=O)On1nnc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 9/20 0.45
▸ FGFR1 P11362 7/20 0.45
▸ ALK Q9UM73 3/20 0.45
▸ RET P07949 3/20 0.45
▸ FLT3 P36888 3/20 0.45
▸ ABL1 P00519 2/20 0.45
▸ KDR P35968 10/20 0.40
▸ FLT1 P17948 2/20 0.40
▸ PRKAA1 Q13131 6/20 0.39
▸ PRKAA2 P54646 5/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ TLK2 Q86UE8 3/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38

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
SCHEMBL2441251 0.89 ALK (0.58) PDGFRBFGFR1ALKRETFLT3
SCHEMBL2439011 0.89 ALK (0.58) PDGFRBFGFR1ALKRETFLT3
SCHEMBL18357343 0.87 ALK (0.44) PDGFRBFGFR1ALKRETFLT3
SCHEMBL12336334 0.76 ALK (0.72) PDGFRBFGFR1ALKRETFLT3
SCHEMBL13711995 0.74 PDGFRB (0.60) PDGFRBFGFR1ALKRETFLT3
SCHEMBL5642751 0.74 PDGFRB (0.60) PDGFRBFGFR1ALKRETFLT3
SCHEMBL13711996 0.73 KDR (0.52) PDGFRBFGFR1ALKRETFLT3
SCHEMBL5642503 0.73 KDR (0.52) PDGFRBFGFR1ALKRETFLT3
SCHEMBL12335804 0.73 ALK (0.53) PDGFRBFGFR1ALKRETFLT3
SCHEMBL5511277 0.72 KDR (0.49) PDGFRBFGFR1ALKRETFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9162981-B2 Compositions and methods for treatment of neurodegenerative disease THE JOHNS HOPKINS UNIVERSITY (US) 2015-10-20 — — 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 PDGFRB 3455/4885FGFR1 4629/4885ALK 4816/4885
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease CLN6, PSEN2, CHAT PDGFRB 3455/4885FGFR1 4629/4885ALK 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.

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