SCHEMBL8940406

SCHEMBL8940406

CCOC(CCNC(=O)C(F)(F)F)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CA3 P07451 2/20 0.43
CA5A P35218 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
ATM Q13315 1/20 0.34
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
NQO2 P16083 1/20 0.33

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
SCHEMBL9328819 0.90 ALDH1A1 (0.55) EPHX1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL11256841 0.81 EPHX1 (0.39) EPHX1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL3867671 0.77 EPHX1 (0.38) EPHX1ALDH1A1POLBKMT2AATM
SCHEMBL642798 0.77 MTNR1A (0.43) EPHX1ALDH1A1KMT2AATMMTNR1A
SCHEMBL2258700 0.77 EPHX1 (0.32) EPHX1KMT2AATM
SCHEMBL9397628 0.76 ALDH1A1 (0.44) EPHX1ALDH1A1KMT2AMEN1ATM
SCHEMBL28695575 0.76 ALDH1A1 (0.54) EPHX1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL5486728 0.75 SMN1; SMN2 (0.58) EPHX1ALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL14240967 0.74 EPHX1 (0.36) EPHX1ALDH1A1POLBKMT2AMEN1
SCHEMBL8378421 0.74 KMT2A (0.41) EPHX1KMT2AMEN1

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 16 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
EP-2903968-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2015-08-12 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
WO-2014053491-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2014-04-10 WO disclosed
US-5576426-A Aldolase catalyzed stereoselective synthesis of arabinohexulose, xyloheptulose, threohexulose and xylohexulose G. D. SEARLE & CO. (US) 1996-11-19 US disclosed
US-5143831-A Fructose 1,6-diphosphate aldolase catalyzed steroselective synthesis of sugars G. D. SEARLE & CO. (US) 1992-09-01 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 EPHX1 984/4885ALDH1A1 744/4885POLB 1641/4885
US-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 EPHX1 958/4885ALDH1A1 711/4885POLB 1419/4885
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 EPHX1 984/4885ALDH1A1 744/4885POLB 1641/4885
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 EPHX1 984/4885ALDH1A1 744/4885POLB 1641/4885
US-10221139-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 EPHX1 984/4885ALDH1A1 744/4885POLB 1641/4885

“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.