SCHEMBL4990886

SCHEMBL4990886

NC(=O)N1CCC(NC(=O)c2c(Cl)cccc2Cl)C(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
TAS1R2 Q8TE23 3/20 0.47
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
NOTUM Q6P988 3/20 0.39
CHRNA7 P36544 2/20 0.38
HTR3A P46098 1/20 0.38
SPTLC2 O15270 5/20 0.38
RAB9A P51151 1/20 0.38
TYK2 P29597 1/20 0.36
CDK14 O94921 1/20 0.36
CCNY Q8ND76 1/20 0.36
PPIA P62937 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
SCHEMBL1307579 0.78 TAS1R3 (0.69) TAS1R3TAS1R1TAS1R2RAB9ATYK2
SCHEMBL7311576 0.68 RAB9A (0.69) MAPTNPC1GLAHPGDNOTUM
SCHEMBL25503925 0.66 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2TYK2
SCHEMBL14275542 0.66 GLA (0.57) MAPTNPC1GLAHPGDNOTUM
SCHEMBL702131 0.65 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2
SCHEMBL20147603 0.64 RET (0.45) TAS1R3TAS1R1TAS1R2TYK2
SCHEMBL20068948 0.64 ALDH1A1 (0.48) TAS1R3TAS1R1TAS1R2MAPTPPIA
SCHEMBL1307512 0.64 CYP2C19 (0.56) TAS1R3TAS1R1TAS1R2NPC1HPGD
SCHEMBL13198827 0.63 NPC1 (0.67) MAPTNPC1GLAHPGDRAB9A
SCHEMBL14197783 0.63 NPC1 (0.57) NPC1GLAHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 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 (1 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-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's CDK1, CDK3, CDK2 TAS1R3 3976/4885TAS1R1 4074/4885TAS1R2 4436/4885

“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.