SCHEMBL17544819

SCHEMBL17544819

Cc1nnc(CNCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 2/20 0.40
▸ PIK3CA P42336 4/20 0.39
▸ AGTR1 P30556 2/20 0.39
▸ AGTR2 P50052 2/20 0.39
▸ MMP13 P45452 1/20 0.38
▸ TP53 P04637 3/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PIK3CG P48736 3/20 0.36
▸ P2RY14 Q15391 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ APOBEC3A P31941 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
SCHEMBL17544846 0.91 MMP13 (0.42) PDE6DPIK3CAAGTR1AGTR2MMP13
SCHEMBL17544636 0.90 TP53 (0.40) PDE6DTP53MAPTALDH1A1POLB
SCHEMBL17544604 0.90 PDE6D (0.42) PDE6DPIK3CAAGTR1AGTR2MMP13
SCHEMBL17544639 0.89 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL17680451 0.88 GNRHR (0.38) PDE6DPIK3CAAGTR1AGTR2MMP13
SCHEMBL17544838 0.87 AGTR1 (0.36) PDE6DPIK3CAAGTR1AGTR2MMP13
SCHEMBL17670468 0.86 PIK3CA (0.39) PIK3CAAGTR1AGTR2MMP13TP53
SCHEMBL17544589 0.83 PPARA (0.38) PIK3CAAGTR1AGTR2MMP13PIK3CG
SCHEMBL17544535 0.82 PDE6D (0.42) PDE6DPIK3CAAGTR1AGTR2MMP13
SCHEMBL17544998 0.82 ALDH1A1 (0.41) TP53MAPTKDM4EALDH1A1POLB

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 PDE6D 3573/4885PIK3CA 2862/4885AGTR1 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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