SCHEMBL17544407

SCHEMBL17544407

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.44
▸ AGTR2 P50052 2/20 0.39
▸ BRS3 P32247 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ THRB P10828 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
SCHEMBL17549942 0.91 TP53 (0.39) AGTR1BRS3TP53P2RX3THRB
SCHEMBL17549892 0.91 AGTR1 (0.44) AGTR1AGTR2TP53P2RX3
SCHEMBL19522724 0.86 THRB (0.36) AGTR1TP53THRB
SCHEMBL17544604 0.86 PDE6D (0.42) AGTR1AGTR2TP53P2RX3
SCHEMBL17545002 0.83 THRB (0.40) AGTR1TP53THRB
SCHEMBL17544639 0.82 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL17670468 0.82 PIK3CA (0.39) AGTR1AGTR2TP53
SCHEMBL17544819 0.82 PDE6D (0.40) AGTR1AGTR2TP53THRB
SCHEMBL17544778 0.82 TP53 (0.39) AGTR1BRS3TP53P2RX3
SCHEMBL17670495 0.81 AGTR1 (0.41) AGTR1AGTR2BRS3TP53

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 AGTR1 2794/4885AGTR2 3216/4885BRS3 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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