SCHEMBL17670361

SCHEMBL17670361

Cc1cc(C(=O)O)cc(CNCCc2nncn2Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 1/20 0.39
▸ MMP13 P45452 2/20 0.38
▸ PTGER4 P35408 4/20 0.37
▸ PTGDR Q13258 3/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ MDM2 Q00987 4/20 0.36
▸ PHGDH O43175 1/20 0.35
▸ RORC P51449 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
SCHEMBL17670351 0.90 MMP13 (0.38) P2RY14MMP13PTGER4PTGDRP2RX7
SCHEMBL17670347 0.74 NPC1 (0.39) —
SCHEMBL17670487 0.72 TP53 (0.40) MMP13
SCHEMBL17545039 0.72 EHMT2 (0.36) MMP13
SCHEMBL17670362 0.72 YTHDC1 (0.34) MMP13
SCHEMBL17545011 0.71 MMP13 (0.37) P2RY14MMP13PTGER4
SCHEMBL17670506 0.71 KDM4C (0.40) P2RY14PTGER4PTGDR
SCHEMBL17549883 0.69 HSP90AA1 (0.44) MMP13
SCHEMBL17544846 0.67 MMP13 (0.42) P2RY14MMP13
SCHEMBL17670332 0.67 ALDH1A1 (0.34) —

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 P2RY14 4827/4885MMP13 397/4885PTGER4 4576/4885

“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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