SCHEMBL17544553

SCHEMBL17544553

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.40
▸ TP53 P04637 4/20 0.37
▸ AGTR1 P30556 2/20 0.36
▸ AGTR2 P50052 2/20 0.36
▸ CES2 O00748 1/20 0.36
▸ PDE6D O43924 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PIK3CA P42336 4/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PIK3CG P48736 3/20 0.34
▸ GNRHR P30968 1/20 0.34

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
SCHEMBL17683831 0.94 MMP13 (0.40) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17544963 0.91 P2RX3 (0.41) MMP13TP53CES2MAPT
SCHEMBL17544838 0.91 AGTR1 (0.36) MMP13TP53AGTR1AGTR2PDE6D
SCHEMBL17544846 0.88 MMP13 (0.42) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17544535 0.87 PDE6D (0.42) MMP13TP53AGTR1AGTR2CES2
SCHEMBL19522732 0.86 POLB (0.34) TP53CES2MAPTGNRHR
SCHEMBL17670350 0.85 MMP13 (0.38) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17680451 0.84 GNRHR (0.38) MMP13TP53AGTR1AGTR2PDE6D
SCHEMBL17670366 0.84 MMP13 (0.40) MMP13AGTR1AGTR2PDE6DMAPT
SCHEMBL17670353 0.84 MMP13 (0.40) MMP13TP53AGTR1AGTR2CES2

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 MMP13 397/4885TP53 190/4885AGTR1 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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