SCHEMBL16808957

SCHEMBL16808957

CCOC(=O)c1cc(-c2cnc(OCC(F)(F)F)cc2OC)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ DGAT1 O75907 1/20 0.37
▸ FAAH O00519 2/20 0.37
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ JMJD6 Q6NYC1 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 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
SCHEMBL16804989 0.90 MMP2 (0.41) MMP2MMP13MMP14FAAHLMNA
SCHEMBL16804975 0.88 MMP2 (0.42) MMP2MMP13MMP14FAAHLMNA
SCHEMBL16804985 0.83 FAAH (0.42) MMP2MMP13MMP14FAAHLMNA
SCHEMBL16783070 0.82 MMP2 (0.42) MMP2MMP13MMP14FAAHLMNA
SCHEMBL16804998 0.82 FAAH (0.43) MMP2MMP13MMP14FAAHLMNA
SCHEMBL16783072 0.81 LMNA (0.43) MMP2MMP13MMP14FAAHLMNA
SCHEMBL16783069 0.79 PDE4D (0.43) LMNAMAPTKMT2ANPC1RAB9A
SCHEMBL16783015 0.79 MDM2 (0.39) MAPTKMT2AGAAKDM4EMEN1
SCHEMBL16782951 0.76 MMP2 (0.43) MMP2MMP13MMP14FAAHLMNA
SCHEMBL16808954 0.76 LMNA (0.43) MMP2MMP13MMP14FAAHLMNA

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 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.

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