SCHEMBL17670462

SCHEMBL17670462

CC#CCc1cnc(CNCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.40
▸ MMP13 P45452 2/20 0.38
▸ BRS3 P32247 2/20 0.35
▸ AGTR2 P50052 2/20 0.35
▸ CES2 O00748 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ PTGER4 P35408 1/20 0.33

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
SCHEMBL17549892 0.89 AGTR1 (0.44) AGTR1MMP13AGTR2CES2TP53
SCHEMBL17670495 0.86 AGTR1 (0.41) AGTR1MMP13BRS3AGTR2CES2
SCHEMBL17670339 0.85 AGTR1 (0.42) AGTR1BRS3AGTR2
SCHEMBL17544469 0.85 AGTR1 (0.41) AGTR1MMP13BRS3AGTR2CES2
SCHEMBL17670473 0.84 AGTR1 (0.41) AGTR1MMP13AGTR2TP53
SCHEMBL17670424 0.84 AGTR1 (0.43) AGTR1BRS3AGTR2
SCHEMBL17549916 0.83 MMP13 (0.39) AGTR1MMP13AGTR2CES2TP53
SCHEMBL17544961 0.82 MMP13 (0.38) AGTR1MMP13AGTR2CES2TP53
SCHEMBL17670350 0.82 MMP13 (0.38) AGTR1MMP13AGTR2CES2TP53
SCHEMBL17670325 0.82 AGTR1 (0.38) AGTR1MMP13AGTR2CES2TP53

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 AGTR1 2794/4885MMP13 397/4885BRS3 4064/4885

“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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