SCHEMBL17670325

SCHEMBL17670325

CCC(C)c1cnc(CNCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.38
▸ AGTR2 P50052 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ P2RX3 P56373 2/20 0.37
▸ TP53 P04637 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ PTGER4 P35408 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
SCHEMBL17670505 0.94 TP53 (0.39) AGTR1AGTR2PPARGMMP13P2RX3
SCHEMBL17549916 0.94 MMP13 (0.39) AGTR1AGTR2PPARGMMP13P2RX3
SCHEMBL17670350 0.93 MMP13 (0.38) AGTR1AGTR2MMP13P2RX3TP53
SCHEMBL17670473 0.89 AGTR1 (0.41) AGTR1AGTR2PPARGMMP13TP53
SCHEMBL17549892 0.88 AGTR1 (0.44) AGTR1AGTR2MMP13P2RX3TP53
SCHEMBL17544961 0.85 MMP13 (0.38) AGTR1AGTR2MMP13TP53MAPT
SCHEMBL17545112 0.85 CNR2 (0.38) AGTR1AGTR2MMP13TP53CES2
SCHEMBL17670336 0.84 MMP13 (0.37) AGTR1AGTR2MMP13TP53MAPT
SCHEMBL17545098 0.84 MMP13 (0.37) AGTR1AGTR2MMP13TP53MAPT
SCHEMBL17545097 0.84 MMP13 (0.37) AGTR1AGTR2MMP13TP53MAPT

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 2794/4885AGTR2 3216/4885PPARG 2122/4885

“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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