SCHEMBL16804991

SCHEMBL16804991

COC(=O)c1cc(-c2cnc(C)cc2C(F)(F)F)n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ POLQ O75417 1/20 0.39
▸ RBP4 P02753 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PLA2G10 O15496 1/20 0.36
▸ NOTUM Q6P988 3/20 0.36
▸ CFTR P13569 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PIK3CA P42336 1/20 0.34

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
SCHEMBL16804987 0.89 NPC1 (0.39) NPC1PKMMMP2MMP13MMP14
SCHEMBL16804995 0.88 MAPT (0.40) NPC1PKMMMP2MMP13MMP14
SCHEMBL16804982 0.85 MMP2 (0.40) NPC1PKMMMP2MMP13MMP14
SCHEMBL16804986 0.84 HPGD (0.38) NPC1PKMMMP2MMP13MMP14
SCHEMBL16808978 0.82 PKM (0.36) NPC1PKMMMP2MMP13MMP14
SCHEMBL16804973 0.82 POLQ (0.42) MMP2MMP13MMP14POLQSMN1; SMN2
SCHEMBL15869822 0.80 ALDH1A1 (0.45) NPC1PKMMMP2MMP13MMP14
SCHEMBL16808956 0.79 MAPT (0.39) NPC1PKMMMP2MMP13MMP14
SCHEMBL16808951 0.78 MMP2 (0.37) NPC1PKMMMP2MMP13MMP14
SCHEMBL16804964 0.75 NNMT (0.46) MMP2MMP13MMP14POLQPLA2G10

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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 NPC1 599/4885PKM 1047/4885MMP2 4592/4885

“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.

Send feedback