SCHEMBL8966036

SCHEMBL8966036

CCOC(=O)[C@H](Cc1ccccc1)NCl

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.59
ELANE P08246 1/20 0.53
HPRT1 P00492 1/20 0.53
TP53 P04637 2/20 0.52
TACR1 P25103 1/20 0.51
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.49
EPHX2 P34913 1/20 0.49
PPARG P37231 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
PTGS2 P35354 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL15343891 1.00 MMP8 (0.59) MMP8ELANEHPRT1TP53TACR1
SCHEMBL27464748 1.00 MMP8 (0.59) MMP8ELANEHPRT1TP53TACR1
Hydrochloric Acid SCHEMBL1168461 0.98 MMP8 (0.57) MMP8ELANEHPRT1TP53TACR1
Hydrochloric Acid SCHEMBL1168459 0.98 MMP8 (0.57) MMP8ELANEHPRT1TP53TACR1
SCHEMBL18202442 0.87 POLB (0.51) MMP8HPRT1TACR1POLBALDH1A1
SCHEMBL6322057 0.87 MMP8 (0.59) MMP8ELANEHPRT1TP53TACR1
SCHEMBL4765072 0.87 MMP8 (0.59) MMP8ELANEHPRT1TP53TACR1
SCHEMBL2602049 0.86 ATM (0.63) POLBALDH1A1GAARAB9AATM
SCHEMBL12666720 0.86 ATM (0.63) POLBALDH1A1GAARAB9AATM
SCHEMBL24925125 0.85 MMP8 (0.57) MMP8ELANEHPRT1TP53TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724360-B2 Methods for treating Filoviridae virus infections GILEAD SCIENCES, INC. (US) 2017-08-08 US disclosed
WO-2017049060-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2017-03-23 WO disclosed
US-20170071964-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2017-03-16 US disclosed
US-20160361330-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-20160122374-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2016-05-05 US disclosed
US-20160122356-A1 METHODS FOR THE PREPARATION OF RIBOSIDES GILEAD SCIENCES, INC. 2016-05-05 US disclosed
US-9200020-B2 6-oxopurine phosphoribosyltransferase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-20150099722-A1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2015-04-09 US disclosed
CN-1160368-C Endothelin antegon 中国人民解放军军事医学科学院毒物药 2004-08-04 CN disclosed
CN-1155611-C Endothelin antagon 中国人民解放军军事医学科学院毒物药 2004-06-30 CN disclosed
CN-1155612-C Endothelin antagon 中国人民解放军军事医学科学院毒物药 2004-06-30 CN disclosed
CN-1330077-A Endothelin antegon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN disclosed
CN-1330076-A Endothelin antagon INST OF TOXIC MEDICINES PLA S (CN) 2002-01-09 CN disclosed
US-5552318-A ENANTIOSELECTIVE SYNTHESIS OF D-AMINO ACIDS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1996-09-03 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-20160122356-A1 METHODS FOR THE PREPARATION OF RIBOSIDES PRPS1, PRPF4, PRPF31 MMP8 2302/4885ELANE 1686/4885HPRT1 25/4885
US-20160361330-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS PNP, PRPF4, RPIA MMP8 1974/4885ELANE 1070/4885HPRT1 12/4885
US-20150099722-A1 6-OXOPURINE PHOSPHORIBOSYLTRANSFERASE INHIBITORS HPRT1, APRT, TPMT MMP8 3725/4885ELANE 4199/4885HPRT1 1/4885
US-20170071964-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS ACE, PNP, ACE2 MMP8 295/4885ELANE 547/4885HPRT1 116/4885
US-20160122374-A1 METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS PNP, PRPF4, RPIA MMP8 1974/4885ELANE 1070/4885HPRT1 12/4885

“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.