SCHEMBL1484479

SCHEMBL1484479

COC(=O)CC1(COS(C)(=O)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
TSHR P16473 4/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL14391226 0.93 NPSR1 (0.37) TP53CA12CA14TSHRNPSR1
SCHEMBL1662342 0.83 GAA (0.36) NPSR1ALDH1A1MGAMGAASI
SCHEMBL625985 0.81 CYP1A2 (0.37) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL17233403 0.78 TSHR (0.46) TP53CA12CA14TSHRKDM4E
SCHEMBL323068 0.78 USP2 (0.42) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL12281990 0.78 CA12 (0.38) TP53CA12CA14TSHRCA2
SCHEMBL15578278 0.75 USP2 (0.36) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL16028550 0.75 KDM4E (0.36) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL15538067 0.74 KDM4E (0.39) TSHRNPSR1KDM4EUSP2ALDH1A1
SCHEMBL14671190 0.74 KDM4E (0.39) TSHRKDM4EUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 US disclosed
US-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-8343968-B2 Case of renin inhibitors MERCK CANADA INC. (CA) 2013-01-01 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 US disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
EP-2167476-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
WO-2009005674-A2 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2008141462-A9 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-01-08 WO disclosed
WO-2008141462-A1 NOVEL CASE OF RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-11-27 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 (3 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-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H TP53 3199/4885CA12 4366/4885CA14 3914/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H TP53 3199/4885CA12 4366/4885CA14 3914/4885
US-20100120859-A1 NOVEL CASE OF RENIN INHIBITORS REN, ACE, AGTR1 TP53 4852/4885CA12 2721/4885CA14 2667/4885

“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.