SCHEMBL17544781

SCHEMBL17544781

CCc1cnc(CN(Cc2cc(CO)cc(C)n2)C(=O)OC(C)(C)C)n1Cc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.36
▸ POLB P06746 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ AGTR1 P30556 2/20 0.34
▸ AGTR2 P50052 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TLR7 Q9NYK1 2/20 0.33
▸ P2RX3 P56373 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL17545037 0.90 GRM2 (0.35) GRM2POLBAGTR1AGTR2P2RX3
SCHEMBL17544715 0.81 NR1H4 (0.31) AGTR1AGTR2NR1H4
SCHEMBL17544750 0.81 — —
SCHEMBL17544508 0.80 BRS3 (0.35) GRM2POLBAGTR1AGTR2TP53
SCHEMBL17545002 0.76 THRB (0.40) POLBTHRBAGTR1TP53TLR7
SCHEMBL17544778 0.68 TP53 (0.39) GRM2POLBAGTR1TP53TLR7
SCHEMBL17549892 0.68 AGTR1 (0.44) AGTR1AGTR2TP53P2RX3
SCHEMBL19522734 0.67 THRB (0.36) POLBTHRBAGTR1TP53MEN1
SCHEMBL17670425 0.67 HSP90AA1 (0.38) GRM2AGTR1AGTR2TP53SSTR4
SCHEMBL17544610 0.65 HSP90B1 (0.47) —

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 9 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-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
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 GRM2 1490/4885POLB 637/4885THRB 2993/4885

“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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