SCHEMBL2789609

SCHEMBL2789609

Cc1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.40
DAO P14920 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9357959 0.89 UPP1 (0.39) UPP1ALDH1A1TSHR
SCHEMBL9353768 0.89 UPP1 (0.39) UPP1
Hept SCHEMBL384288 0.89 UPP1 (0.48) UPP1ALDH1A1TSHRHPGD
SCHEMBL9353642 0.89 DHFR (0.41) UPP1DAONOTUM
SCHEMBL9353855 0.86 SMN1; SMN2 (0.38) UPP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL9851436 0.82 UPP1 (0.37) UPP1
SCHEMBL7219945 0.82 ALDH1A1 (0.39) ALDH1A1TSHRTP53HPGDSMN1; SMN2
SCHEMBL29184178 0.81 UPP1 (0.42) UPP1DAOALDH1A1
SCHEMBL9353681 0.80 HPGD (0.38) UPP1ALDH1A1HPGD
Hept SCHEMBL1732034 0.79 UPP1 (0.40) UPP1ALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008104-A1 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-14 US claimed
CN-111163783-A Compositions and methods for inhibiting HIV-1 reverse transcriptase 美国政府卫生与公众服务部 2020-05-15 CN claimed
US-9487476-B2 Catechol diethers as potent anti-HIV agents YALE UNIVERSITY (US) 2016-11-08 US 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
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-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE ANDERSON KAREN S (US) 2011-12-22 US claimed
WO-2009126293-A2 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE YALE UNIVERSITY (US) 2009-10-15 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-0371139-B1 6-SUBSTITUTED ACYCLICPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING SAME AS ACTIVE INGREDIENTS MITSUBISHI CHEM IND (JP) 1994-10-12 EP claimed
US-5112835-A 6-SUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING THE SAME AS ACTIVE INGREDIENT THEREOF MITSUBISHI KASEI CORPORATION (JP) 1992-05-12 US claimed
EP-0371139-A1 6-SUBSTITUTED ACYCLICPYRIMIDINE NUCLEOSIDE DERIVATIVES AND ANTIVIRAL AGENTS CONTAINING SAME AS ACTIVE INGREDIENTS Mitsubishi Chemical Corporation (JP) 1990-06-06 EP claimed
US-20260115296-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES UNIV YALE (US) 2026-04-30 US disclosed
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
US-12605450-B2 C3-carbon linked glutarimide Degronimers for target protein degradation C4 THERAPEUTICS, INC. (US) 2026-04-21 US disclosed
EP-0829476-B1 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof MITSUBISHI CHEM CORP (JP) 2002-08-28 EP disclosed
EP-0829476-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1998-03-18 EP disclosed
US-5461060-A Antiretroviral activity MITSUBISHI KASEI CORPORATION (JP) 1995-10-24 US disclosed
EP-0420763-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1991-04-03 EP 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 414/4885DAO 1210/4885NOTUM 309/4885
US-12605450-B2 C3-carbon linked glutarimide Degronimers for target protein degradation NEDD4, UBE3A, UBE3C UPP1 3954/4885DAO 220/4885NOTUM 4044/4885
US-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE NAMPT, NAPRT, DNTT UPP1 823/4885DAO 940/4885NOTUM 1048/4885
US-20260115296-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, VHL, ADRM1 UPP1 2740/4885DAO 2014/4885NOTUM 3807/4885
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR UPP1 309/4885DAO 1331/4885NOTUM 219/4885
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 605/4885DAO 670/4885NOTUM 1142/4885

“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.