SCHEMBL17670478

SCHEMBL17670478

Cc1cc(C(=O)O)cc(CNCc2nnc(CCc3ccccc3)n2Cc2ccc(F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 3/20 0.40
▸ GHSR Q92847 1/20 0.39
▸ PDE6D O43924 3/20 0.39
▸ AGTR1 P30556 3/20 0.38
▸ AGTR2 P50052 3/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL17670366 0.92 MMP13 (0.40) MMP13GHSRPDE6DAGTR1AGTR2
SCHEMBL17544535 0.89 PDE6D (0.42) MMP13PDE6DAGTR1AGTR2TP53
SCHEMBL17670345 0.88 MMP13 (0.39) MMP13AGTR1AGTR2MAPTTP53
SCHEMBL17544846 0.88 MMP13 (0.42) MMP13PDE6DAGTR1AGTR2MAPT
SCHEMBL17670339 0.87 AGTR1 (0.42) AGTR1AGTR2ENPP2CNR1CNR2
SCHEMBL17670499 0.86 MMP13 (0.40) MMP13PDE6DAGTR1AGTR2MAPT
SCHEMBL17680457 0.84 MMP13 (0.40) MMP13AGTR1AGTR2MAPTTSHR
SCHEMBL17683831 0.84 MMP13 (0.40) MMP13PDE6DAGTR1AGTR2TP53
SCHEMBL17544971 0.84 ALDH1A1 (0.44) MMP13PDE6DAGTR1AGTR2MAPT
SCHEMBL17670353 0.84 MMP13 (0.40) MMP13AGTR1AGTR2TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 MMP13 397/4885GHSR 2880/4885PDE6D 3573/4885

“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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