SCHEMBL16291855

SCHEMBL16291855

CN(CCCc1nccn1C)C(=O)[C@@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.42
▸ CTSL P07711 5/20 0.42
▸ CTSB P07858 5/20 0.42
▸ CTSS P25774 5/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ GLS O94925 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
SCHEMBL28435253 1.00 CTSK (0.42) CTSKCTSLCTSBCTSSMEN1
SCHEMBL7919838 0.73 CTSK (0.55) CTSKCTSLCTSBCTSSMEN1
SCHEMBL3709555 0.73 CTSK (0.55) CTSKCTSLCTSBCTSSMEN1
SCHEMBL19017976 0.73 CTSK (0.55) CTSKCTSLCTSBCTSSMEN1
SCHEMBL16310762 0.72 KDM5B (0.39) OPRK1
SCHEMBL12112871 0.71 CTSL (0.58) CTSKCTSLCTSBCTSSMEN1
SCHEMBL12112865 0.70 CTSK (0.43) CTSKCTSLCTSBCTSSMEN1
SCHEMBL11711766 0.70 CASP1 (0.52) CTSKCTSLCTSBCTSSMEN1
SCHEMBL9717722 0.70 CTSL (0.62) CTSKCTSLCTSBCTSSMEN1
SCHEMBL17337793 0.69 CTSL (0.65) CTSKCTSLCTSBCTSSMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107434803-B Inhibitors of histone demethylases 吉利德科学公司 2020-05-05 — — CN disclosed
US-10221139-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-03-05 — — US disclosed
US-10189787-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-01-29 — — US disclosed
EP-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2017-11-09 — — US disclosed
EP-3150582-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-04-05 — — EP disclosed
US-9611219-B2 — — 2017-04-04 — — US disclosed
US-9611220-B2 — — 2017-04-04 — — US disclosed
EP-2903968-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2016-12-07 — — EP disclosed
EP-3023415-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2016-05-25 — — EP disclosed
US-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2015-07-23 — — US disclosed
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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 (5 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-10189787-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 CTSK 3036/4885CTSL 4365/4885CTSB 2748/4885
US-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 CTSK 3050/4885CTSL 4372/4885CTSB 2742/4885
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 CTSK 3036/4885CTSL 4365/4885CTSB 2748/4885
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 CTSK 3036/4885CTSL 4365/4885CTSB 2748/4885
US-10221139-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 CTSK 3036/4885CTSL 4365/4885CTSB 2748/4885

“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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