SCHEMBL17670468

SCHEMBL17670468

Cc1nc(CNCc2cc(C(=O)O)cc(CO)n2)n(Cc2ccc(F)cc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.39
▸ AGTR1 P30556 2/20 0.39
▸ AGTR2 P50052 2/20 0.39
▸ TP53 P04637 4/20 0.37
▸ MMP13 P45452 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PIK3CG P48736 3/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A2 P11168 1/20 0.35
▸ SLC2A3 P11169 1/20 0.35
▸ SLC2A4 P14672 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35

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
SCHEMBL17544819 0.86 PDE6D (0.40) PIK3CAAGTR1AGTR2TP53MMP13
SCHEMBL17544604 0.84 PDE6D (0.42) PIK3CAAGTR1AGTR2TP53MMP13
SCHEMBL17544589 0.83 PPARA (0.38) PIK3CAAGTR1AGTR2MMP13PIK3CG
SCHEMBL17544639 0.83 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL17544407 0.82 AGTR1 (0.44) AGTR1AGTR2TP53
SCHEMBL17680451 0.82 GNRHR (0.38) PIK3CAAGTR1AGTR2TP53MMP13
SCHEMBL17544838 0.81 AGTR1 (0.36) PIK3CAAGTR1AGTR2TP53MMP13
SCHEMBL17544476 0.79 HSP90AA1 (0.43) AGTR1AGTR2TP53MMP13
SCHEMBL17545011 0.79 MMP13 (0.37) PIK3CAAGTR1AGTR2MMP13P2RY14
SCHEMBL17670426 0.78 ENPP2 (0.36) PIK3CAAGTR1AGTR2MMP13P2RY14

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 PIK3CA 2862/4885AGTR1 2794/4885AGTR2 3216/4885

“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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