SCHEMBL17544601

SCHEMBL17544601

Cc1cc(C(=O)O)cc(CNCc2ncc(C3CCC3)n2Cc2ccc(F)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.38
▸ TP53 P04637 3/20 0.37
▸ PDE2A O00408 2/20 0.37
▸ AGTR1 P30556 3/20 0.36
▸ AGTR2 P50052 2/20 0.36
▸ CES2 O00748 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GNRHR P30968 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL17544753 0.92 TP53 (0.36) TP53PDE2ACES2KDM4EPOLB
SCHEMBL17670493 0.85 MMP13 (0.38) MMP13TP53AGTR1AGTR2GNRHR
SCHEMBL17549892 0.83 AGTR1 (0.44) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17549916 0.83 MMP13 (0.39) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17670325 0.82 AGTR1 (0.38) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17544961 0.82 MMP13 (0.38) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17670350 0.82 MMP13 (0.38) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17545112 0.82 CNR2 (0.38) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17670483 0.82 MMP13 (0.39) MMP13TP53AGTR1AGTR2CES2
SCHEMBL17549940 0.82 TP53 (0.36) TP53PDE2ACYP2D6HRH1KCNH2

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 MMP13 397/4885TP53 190/4885PDE2A 1013/4885

“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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