SCHEMBL17544535

SCHEMBL17544535

CCc1nnc(CNCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ AGTR1 P30556 2/20 0.41
▸ AGTR2 P50052 2/20 0.41
▸ CES2 O00748 1/20 0.38
▸ P2RY14 Q15391 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PPARG P37231 1/20 0.36

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
SCHEMBL17544846 0.91 MMP13 (0.42) PDE6DMMP13AGTR1AGTR2CES2
SCHEMBL17544533 0.90 TP53 (0.40) PDE6DMMP13CES2RAB9ATP53
SCHEMBL17544604 0.90 PDE6D (0.42) PDE6DMMP13AGTR1AGTR2P2RY14
SCHEMBL17670366 0.90 MMP13 (0.40) PDE6DMMP13AGTR1AGTR2
SCHEMBL17670499 0.90 MMP13 (0.40) PDE6DMMP13AGTR1AGTR2CES2
SCHEMBL17670478 0.89 MMP13 (0.40) PDE6DMMP13AGTR1AGTR2TP53
SCHEMBL17670345 0.88 MMP13 (0.39) MMP13AGTR1AGTR2CES2TP53
SCHEMBL17680457 0.88 MMP13 (0.40) MMP13AGTR1AGTR2CES2TP53
SCHEMBL17544971 0.88 ALDH1A1 (0.44) PDE6DMMP13AGTR1AGTR2CES2
SCHEMBL17683831 0.88 MMP13 (0.40) PDE6DMMP13AGTR1AGTR2CES2

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 7 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
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP 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
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO 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 PDE6D 3573/4885MMP13 397/4885AGTR1 2794/4885

“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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