SCHEMBL17670328

SCHEMBL17670328

COC(=O)c1cn(Cc2ccc(F)cc2)c(CNCc2cc(C(=O)O)cc(CO)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ GRM2 Q14416 3/20 0.37
▸ P2RY14 Q15391 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KLKB1 P03952 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ MMP13 P45452 2/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 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
SCHEMBL17544589 0.88 PPARA (0.38) P2RY14MMP13PIK3CAMAPTKDM4A
SCHEMBL17670426 0.84 ENPP2 (0.36) P2RY14KLKB1MMP13PIK3CAMAPT
SCHEMBL17545006 0.81 MAPT (0.41) ALDH1A1GRM2MEN1KMT2AMAPT
SCHEMBL17544476 0.80 HSP90AA1 (0.43) GRM2HSP90AA1HSP90B1MMP13KDM4A
SCHEMBL17545011 0.80 MMP13 (0.37) P2RY14MMP13PIK3CAKDM4AKDM5A
SCHEMBL17544815 0.80 HSP90AA1 (0.39) GRM2MEN1KMT2AHSP90AA1HSP90B1
SCHEMBL17544604 0.77 PDE6D (0.42) P2RY14MMP13PIK3CAMAPT
SCHEMBL17544819 0.77 PDE6D (0.40) ALDH1A1P2RY14MEN1KMT2AMMP13
SCHEMBL17670468 0.77 PIK3CA (0.39) P2RY14MMP13PIK3CA
SCHEMBL17544765 0.76 TP53 (0.40) ALDH1A1GRM2MAPT

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 ALDH1A1 802/4885MAPK10 2732/4885GRM2 1490/4885

“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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