SCHEMBL16804980

SCHEMBL16804980

COC(=O)c1cc(-c2cnc(OC(F)F)cc2OC)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ PLA2G10 O15496 1/20 0.34
▸ RORC P51449 3/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ POLQ O75417 2/20 0.32
▸ SIK1 P57059 1/20 0.31
▸ SIK2 Q9H0K1 1/20 0.31
▸ SIK3 Q9Y2K2 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL16804988 0.86 MMP2 (0.39) CRHR1MMP2MMP13MMP14PLA2G10
SCHEMBL16783070 0.84 MMP2 (0.42) CRHR1MMP2MMP13MMP14PLA2G10
SCHEMBL16782981 0.83 STIM1 (0.37) RORCMAPTPOLQMEN1KMT2A
SCHEMBL16783052 0.82 PDE4D (0.42) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL16804990 0.82 RXRA (0.35) MMP2MMP13MMP14PLA2G10RORC
SCHEMBL16805001 0.81 MMP2 (0.38) MMP2MMP13MMP14POLQ
SCHEMBL16804973 0.81 POLQ (0.42) MMP2MMP13MMP14PLA2G10POLQ
SCHEMBL16808956 0.80 MAPT (0.39) MMP2MMP13MMP14MAPTPOLQ
SCHEMBL16782951 0.78 MMP2 (0.43) MMP2MMP13MMP14PLA2G10MAPT
SCHEMBL16804975 0.77 MMP2 (0.42) MMP2MMP13MMP14MAPTMEN1

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 CRHR1 3504/4885MMP2 4592/4885MMP13 3006/4885

“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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