SCHEMBL16808978

SCHEMBL16808978

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ CFTR P13569 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ NOTUM Q6P988 2/20 0.32
▸ PLA2G10 O15496 1/20 0.32
▸ HCRTR1 O43613 2/20 0.31
▸ HCRTR2 O43614 2/20 0.31
▸ ASPH Q12797 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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 0.87 MAPT (0.40) PKMNPC1MAPTCFTRSMN1; SMN2
SCHEMBL16804982 0.84 MMP2 (0.40) PKMNPC1MAPTCFTRSMN1; SMN2
SCHEMBL16804991 0.82 NPC1 (0.39) PKMNPC1CFTRSMN1; SMN2KDM4E
SCHEMBL16804987 0.82 NPC1 (0.39) PKMNPC1MAPTCFTRSMN1; SMN2
SCHEMBL16804986 0.77 HPGD (0.38) PKMNPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL17158810 0.74 PKM (0.40) PKMNPC1MAPTSMN1; SMN2KDM4E
SCHEMBL16808951 0.73 MMP2 (0.37) PKMNPC1MAPTSMN1; SMN2KDM4E
SCHEMBL15869822 0.73 ALDH1A1 (0.45) PKMNPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16808956 0.72 MAPT (0.39) PKMNPC1MAPTSMN1; SMN2KDM4E
SCHEMBL16804964 0.71 NNMT (0.46) KDM4EALDH1A1MMP2MMP13MMP14

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 2 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

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 PKM 1047/4885NPC1 599/4885MAPT 3201/4885

“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.

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