SCHEMBL16804982

SCHEMBL16804982

CCOc1cc(C(F)(F)F)c(-c2cc(C(=O)OC)nn2C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ MAPT P10636 3/20 0.37
▸ PKM P14618 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ MAPK3 P27361 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ CFTR P13569 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL16804995 0.90 MAPT (0.40) MMP2MMP13MMP14MAPTPKM
SCHEMBL16804991 0.85 NPC1 (0.39) MMP2MMP13MMP14PKMNPC1
SCHEMBL16808978 0.84 PKM (0.36) MMP2MMP13MMP14MAPTPKM
SCHEMBL16804987 0.84 NPC1 (0.39) MMP2MMP13MMP14MAPTPKM
SCHEMBL16782951 0.84 MMP2 (0.43) MMP2MMP13MMP14MAPTNPC1
SCHEMBL16804999 0.84 MMP2 (0.45) MMP2MMP13MMP14MAPTNPC1
SCHEMBL16783070 0.83 MMP2 (0.42) MMP2MMP13MMP14MAPTNPC1
SCHEMBL16782983 0.82 STIM1 (0.39) MAPTNPC1KDM4ESMN1; SMN2S1PR2
SCHEMBL16783066 0.81 NPC1 (0.43) MAPTNPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL16804988 0.81 MMP2 (0.39) MMP2MMP13MMP14NPC1KDM4E

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
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
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 MMP2 4592/4885MMP13 3006/4885MMP14 3415/4885

“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