SCHEMBL17670351

SCHEMBL17670351

O=C(O)c1cc(CO)nc(CNCCc2nncn2Cc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.38
▸ PTGER4 P35408 8/20 0.36
▸ PTGDR Q13258 4/20 0.36
▸ P2RY14 Q15391 2/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ PTGFR P43088 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ CCR1 P32246 1/20 0.35

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
SCHEMBL17670361 0.90 P2RY14 (0.39) MMP13PTGER4PTGDRP2RY14P2RX7
SCHEMBL17545011 0.81 MMP13 (0.37) MMP13PTGER4P2RY14PPARA
SCHEMBL17544815 0.72 HSP90AA1 (0.39) —
SCHEMBL17670430 0.71 YTHDC1 (0.32) MMP13
SCHEMBL17545013 0.71 EHMT2 (0.37) —
SCHEMBL17544589 0.69 PPARA (0.38) MMP13PTGER4P2RY14PPARA
SCHEMBL14476260 0.69 P2RX7 (0.49) P2RX7CCR1
SCHEMBL17544476 0.68 HSP90AA1 (0.43) MMP13
SCHEMBL14476732 0.68 P2RX7 (0.46) P2RY14P2RX7CCR1
SCHEMBL14476733 0.67 P2RX7 (0.45) P2RX7CCR1

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 397/4885PTGER4 4576/4885PTGDR 3520/4885

“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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