SCHEMBL17545112

SCHEMBL17545112

C=C(C)c1cnc(CNCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ TP53 P04637 4/20 0.36
▸ AGTR1 P30556 3/20 0.36
▸ AGTR2 P50052 2/20 0.36
▸ CES2 O00748 1/20 0.36
▸ PIK3CA P42336 5/20 0.35
▸ PIK3CG P48736 4/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ KDM5A P29375 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ PPARA Q07869 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
SCHEMBL17544465 0.91 TP53 (0.39) CNR2TP53CES2KDM5AKDM5B
SCHEMBL17549916 0.85 MMP13 (0.39) CNR2MMP13TP53AGTR1AGTR2
SCHEMBL17549892 0.85 AGTR1 (0.44) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17670325 0.85 AGTR1 (0.38) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17544961 0.85 MMP13 (0.38) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17670350 0.85 MMP13 (0.38) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17545098 0.83 MMP13 (0.37) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17545097 0.83 MMP13 (0.37) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17670336 0.83 MMP13 (0.37) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17670495 0.83 AGTR1 (0.41) 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 CNR2 4696/4885MMP13 397/4885TP53 190/4885

“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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