SCHEMBL4834099

SCHEMBL4834099

Cn1ncc(-c2ccc(F)cc2)c1C=CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.43
CDK8 P49336 3/20 0.43
MAPT P10636 1/20 0.40
S1PR2 O95136 4/20 0.39
LPAR1 Q92633 2/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
LPAR3 Q9UBY5 1/20 0.37
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
ESR1 P03372 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRM2 Q14416 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
NR3C2 P08235 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4834083 1.00 CCNC (0.43) CCNCCDK8MAPTS1PR2LPAR1
SCHEMBL4829354 0.79 ALDH1A1 (0.39) MAPTS1PR2LPAR1NR3C2
SCHEMBL4825825 0.79 CCNC (0.49) CCNCCDK8MAPTLMNAGFER
SCHEMBL4833832 0.79 CCNC (0.49) CCNCCDK8MAPTLMNAGFER
SCHEMBL4825815 0.79 CCNC (0.49) CCNCCDK8MAPTLMNAGFER
SCHEMBL1777658 0.75 LPAR1 (0.42) CCNCCDK8MAPTS1PR2LPAR1
SCHEMBL4836586 0.74 CCNC (0.42) CCNCCDK8S1PR2ITGB1ITGA4
SCHEMBL4826110 0.72 MAPT (0.48) CCNCCDK8MAPT
SCHEMBL4826105 0.72 MAPT (0.48) CCNCCDK8MAPT
SCHEMBL27996601 0.71 CYP11B2 (0.43) S1PR2LPAR1ITGB1ITGA4ITGB7

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 3 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

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 CCNC 2548/4885CDK8 2963/4885MAPT 3203/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885MAPT 3203/4885

“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.