SCHEMBL4829248

SCHEMBL4829248

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)cc1)OCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.41
KDR P35968 3/20 0.41
CCR2 P41597 1/20 0.41
MCHR1 Q99705 3/20 0.39
MAOB P27338 1/20 0.39
BTK Q06187 2/20 0.38
CCNC P24863 3/20 0.38
CDK8 P49336 3/20 0.38
FPR2 P25090 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HDAC1 Q13547 1/20 0.37
CDK19 Q9BWU1 1/20 0.36
NAMPT P43490 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL4833779 0.91 FLT1 (0.42) FLT1KDRCCR2MCHR1MAOB
SCHEMBL1060125 0.91 BTK (0.41) BTKCCNCCDK8HTR2AHTR2C
SCHEMBL4829084 0.91 BTK (0.41) BTKCCNCCDK8HTR2AHTR2C
SCHEMBL4829197 0.90 HDAC1 (0.41) CCR2BTKCCNCCDK8HDAC1
SCHEMBL4834303 0.89 HDAC1 (0.42) FLT1KDRMCHR1BTKCCNC
SCHEMBL4829178 0.89 HDAC1 (0.42) BTKCCNCCDK8HTR2AHTR2C
SCHEMBL4834118 0.89 FLT1 (0.44) FLT1KDRCCR2MCHR1MAOB
SCHEMBL4829174 0.89 CCNC (0.43) BTKCCNCCDK8HDAC1CDK19
SCHEMBL4834140 0.89 FLT1 (0.44) FLT1KDRCCR2MCHR1MAOB
SCHEMBL4834883 0.88 HDAC1 (0.46) HDAC1

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 FLT1 3414/4885KDR 1100/4885CCR2 334/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 FLT1 3414/4885KDR 1100/4885CCR2 334/4885

“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.