SCHEMBL2036799

SCHEMBL2036799

Cc1c(Sc2ccccc2)n(COCCO)c(=S)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.39
PNP P00491 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31

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
Hept SCHEMBL384288 0.88 UPP1 (0.48) UPP1PNPALDH1A1NPSR1TSHR
SCHEMBL8760255 0.87 UPP1 (0.40) UPP1PNPKMT2AMEN1SMN1; SMN2
SCHEMBL8760934 0.86 UPP1 (0.37) UPP1PNPALDH1A1NPSR1TSHR
SCHEMBL8770174 0.81 UPP1 (0.42) UPP1ALDH1A1NPSR1TSHRMAPK1
SCHEMBL5572945 0.80 UPP1 (0.41) UPP1PNPALDH1A1NPSR1MAPT
Hept SCHEMBL1732034 0.79 UPP1 (0.40) UPP1ALDH1A1NPSR1TSHRMAPK1
SCHEMBL2789609 0.78 UPP1 (0.40) UPP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL9596822 0.77 UPP1 (0.39) UPP1PNPALDH1A1NPSR1MAPT
SCHEMBL9353768 0.76 UPP1 (0.39) UPP1
SCHEMBL9357959 0.76 UPP1 (0.39) UPP1PNPALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3664811-A2 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2020-06-17 EP claimed
WO-2019032749-A2 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2019-02-14 WO claimed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 US claimed
US-20140288017-A1 CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-25 US claimed
EP-2509949-B1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIV GEORGIA (US) 2014-04-23 EP claimed
US-8703801-B2 Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-04-22 US claimed
US-8513205-B2 Potent chimeric NRTI-NNRTI bifunctional inhibitors of HIV-1 reverse transcriptase YALE UNIVERSITY (US) 2013-08-20 US claimed
WO-2013056003-A2 CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS YALE UNIVERSITY (US) 2013-04-18 WO claimed
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (US) 2012-11-08 US claimed
EP-2509949-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS University Of Georgia Research Foundation, Inc. (US) 2012-10-17 EP claimed
US-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE ANDERSON KAREN S (US) 2011-12-22 US claimed
WO-2011071849-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-06-16 WO claimed
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 2010-04-15 US claimed
WO-2009126293-A2 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE YALE UNIVERSITY (US) 2009-10-15 WO claimed
EP-2046328-A2 PYRIDINONE DIKETO ACIDS: INHIBITORS OF HIV REPLICATION IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-04-15 EP claimed
WO-2008010953-A2 PYRIDINONE DIKETO ACIDS: INHIBITORS OF HIV REPLICATION IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2008-01-24 WO claimed
WO-2007106450-A2 DIKETO ACIDS WITH NUCLEOBASE SCAFFOLDS: ANTI-HIV REPLICATION INHIBITORS TARGETED AT HIV INTEGRASE IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-09-20 WO claimed
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 US claimed
EP-4342543-B1 TERT-BUTYL 2-(4-PHENYL-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER HOFFMANN LA ROCHE (CH) 2026-04-29 EP disclosed
WO-1993002044-A1 ACYCLIC 6-PHENYLSELENENYL PYRIMIDINE NUCLEOSIDES BAKER CUMMINS PHARMACEUTICALS, INC. (US) 1993-02-04 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 (6 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-20140288017-A1 CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS COMT, NNMT, PNMT UPP1 414/4885PNP 1655/4885ALDH1A1 572/4885
US-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE NAMPT, NAPRT, DNTT UPP1 823/4885PNP 41/4885ALDH1A1 1308/4885
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy TKT, DHFR, DTYMK UPP1 819/4885PNP 190/4885ALDH1A1 1645/4885
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS PAICS, DUT, AADAC UPP1 289/4885PNP 10/4885ALDH1A1 2717/4885
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR UPP1 309/4885PNP 47/4885ALDH1A1 1200/4885
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 UPP1 605/4885PNP 64/4885ALDH1A1 1263/4885

“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.