SCHEMBL17544604

SCHEMBL17544604

CCc1nnc(CNCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.42
▸ AGTR1 P30556 3/20 0.41
▸ AGTR2 P50052 3/20 0.41
▸ P2RY14 Q15391 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MMP13 P45452 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ P2RX3 P56373 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
SCHEMBL17544639 0.92 AGTR1 (0.43) AGTR1AGTR2HDAC3HDAC4HDAC1
SCHEMBL17544765 0.90 TP53 (0.40) PDE6DRAB9AHDAC3HDAC4HDAC1
SCHEMBL17544535 0.90 PDE6D (0.42) PDE6DAGTR1AGTR2P2RY14RAB9A
SCHEMBL17544819 0.90 PDE6D (0.40) PDE6DAGTR1AGTR2P2RY14PIK3CA
SCHEMBL17680451 0.88 GNRHR (0.38) PDE6DAGTR1AGTR2PIK3CAMMP13
SCHEMBL17544838 0.87 AGTR1 (0.36) PDE6DAGTR1AGTR2PIK3CAMMP13
SCHEMBL17544407 0.86 AGTR1 (0.44) AGTR1AGTR2P2RX3TP53
SCHEMBL17670468 0.84 PIK3CA (0.39) AGTR1AGTR2P2RY14PIK3CAMMP13
SCHEMBL17544998 0.84 ALDH1A1 (0.41) TP53MAPT
SCHEMBL17544589 0.83 PPARA (0.38) AGTR1AGTR2P2RY14RAB9APIK3CA

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 3573/4885AGTR1 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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