SCHEMBL17544971

SCHEMBL17544971

CSc1nnc(CNCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ PDE6D O43924 4/20 0.41
▸ MMP13 P45452 1/20 0.40
▸ GNRHR P30968 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ AGTR1 P30556 2/20 0.37
▸ AGTR2 P50052 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ OPRK1 P41145 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
SCHEMBL17544502 0.91 ALDH1A1 (0.44) ALDH1A1PDE6DGNRHRMAPTGAA
SCHEMBL17544846 0.89 MMP13 (0.42) ALDH1A1PDE6DMMP13MAPTAGTR1
SCHEMBL17544535 0.88 PDE6D (0.42) PDE6DMMP13AGTR1AGTR2CES2
SCHEMBL17680457 0.85 MMP13 (0.40) MMP13MAPTAGTR1AGTR2CES2
SCHEMBL17683831 0.85 MMP13 (0.40) PDE6DMMP13GNRHRAGTR1AGTR2
SCHEMBL17670366 0.85 MMP13 (0.40) ALDH1A1PDE6DMMP13MAPTAGTR1
SCHEMBL17670353 0.85 MMP13 (0.40) MMP13AGTR1AGTR2CES2TP53
SCHEMBL17670499 0.85 MMP13 (0.40) PDE6DMMP13MAPTAGTR1AGTR2
SCHEMBL17544553 0.84 MMP13 (0.40) PDE6DMMP13GNRHRMAPTAGTR1
SCHEMBL17670478 0.84 MMP13 (0.40) PDE6DMMP13MAPTAGTR1AGTR2

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 ALDH1A1 802/4885PDE6D 3573/4885MMP13 397/4885

“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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