SCHEMBL4835543

SCHEMBL4835543

Cn1ncc(CCC(=O)O)c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 5/20 0.46
ALOX15 P16050 4/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 2/20 0.43
APEX1 P27695 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4831256 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10MAPTAPEX1
SCHEMBL22110294 0.81 PRMT5 (0.43) MAPK14SMN1; SMN2PRMT5WDR77
SCHEMBL3630649 0.76 FFAR4 (0.52) FFAR1PPARA
SCHEMBL15750778 0.75 KDM4E (0.54) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL4831113 0.75 ENPP2 (0.46) ALDH1A1GAASMN1; SMN2
SCHEMBL4835215 0.73 RXFP1 (0.40) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL4833832 0.73 CCNC (0.49) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4825825 0.73 CCNC (0.49) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4825815 0.73 CCNC (0.49) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL2358513 0.73 FFAR4 (0.52) FFAR1

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 ALDH1A1 2652/4885KDM4E 4406/4885HSD17B10 625/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885KDM4E 4406/4885HSD17B10 625/4885

“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.