SCHEMBL10158686

SCHEMBL10158686

COc1ccc(OC)c(NC=C2C(=O)OC(C)(C)OC2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 1.00
HSD17B10 Q99714 4/20 1.00
CASP1 P29466 2/20 1.00
CASP7 P55210 2/20 1.00
HPGD P15428 3/20 0.76
NPSR1 Q6W5P4 3/20 0.76
L3MBTL1 Q9Y468 3/20 0.76
KDM4E B2RXH2 1/20 0.76
MAPK1 P28482 1/20 0.64
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.50
SIRT1 Q96EB6 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
KLF5 Q13887 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL9073375 0.89 ALDH1A1 (0.81) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL3576146 0.85 ALDH1A1 (0.74) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL24715839 0.85 ALDH1A1 (0.74) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL27190053 0.85 ALDH1A1 (0.74) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL30626621 0.85 ALDH1A1 (0.74) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL27032826 0.84 ALDH1A1 (0.72) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL10075563 0.83 ALDH1A1 (1.00) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL12095424 0.80 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL3059418 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10CASP1CASP7HPGD
SCHEMBL708062 0.78 ALDH1A1 (1.00) ALDH1A1HSD17B10CASP1CASP7HPGD

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162167-A1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND USE THEREOF AS ANTI-CANCER AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-05-26 US disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
EP-2757096-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-07-23 EP disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 US disclosed
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-07-25 US disclosed
US-8461180-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-06-11 US disclosed
US-8461180-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-06-11 US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
US-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-02-03 US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-09 US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-12-02 US disclosed
WO-2009062285-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062289-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062308-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 WO disclosed
WO-2009062288-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 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 (7 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-20110028464-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 ALDH1A1 3557/4885HSD17B10 2732/4885CASP1 2481/4885
US-20130190491-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 ALDH1A1 3557/4885HSD17B10 2732/4885CASP1 2481/4885
US-20140296228-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E ALDH1A1 3272/4885HSD17B10 2110/4885CASP1 2593/4885
US-20130197231-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E ALDH1A1 3272/4885HSD17B10 2110/4885CASP1 2593/4885
US-20220162167-A1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND USE THEREOF AS ANTI-CANCER AGENTS MCL1, NQO1, GLS ALDH1A1 910/4885HSD17B10 1463/4885CASP1 1092/4885
US-20100305115-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CCNY, RTF2, POLR2E ALDH1A1 3803/4885HSD17B10 2318/4885CASP1 3002/4885
US-20100311735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, POLR1E ALDH1A1 3272/4885HSD17B10 2110/4885CASP1 2593/4885

“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.