Hept

Hept

SCHEMBL384288

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

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.48
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PNP P00491 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
SCHEMBL8770174 0.89 UPP1 (0.42) UPP1ALDH1A1TSHRMAPK1NPSR1
Hept SCHEMBL1732034 0.89 UPP1 (0.40) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL2789609 0.89 UPP1 (0.40) UPP1ALDH1A1TSHRHPGD
SCHEMBL2036799 0.88 UPP1 (0.39) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL7219920 0.87 ALDH1A1 (0.52) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL9357959 0.87 UPP1 (0.39) UPP1ALDH1A1TSHRPNP
SCHEMBL9353768 0.87 UPP1 (0.39) UPP1
SCHEMBL9353985 0.87 UPP1 (0.49) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL7219572 0.86 ALDH1A1 (0.39) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL9353681 0.86 HPGD (0.38) UPP1ALDH1A1HPGDMEN1KMT2A

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 649 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
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
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
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-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
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
EP-1200097-B1 METHOD FOR CONTROLLING THE FIDELITY AND THE PROCESSIVITY OF REVERSE TRANSCRIPTASE BY INCORPORATING AND POLYMERISING NUCLEOTIDE ANALOGUES ACCEPTED AS SUBSTRATES OF THE REVERSE TRANSCRIPTION RESPONSE WITHOUT BLOCKING ITS ELONGATION VIGILENT TECHNOLOGIES (FR) 2014-01-08 EP claimed
US-6727059-B1 ADMINISTERING A NUCLEOSIDE ANALOG THAT HAS A 3' HYDROXYL GROUP LOCATED ON THE C3' CARBON OF THE 2'-DEOXYRIBOSE, FOR EXAMPLE DUTP; FOR RETROID VIRUS INFECTIONS SUCH AS HIV; MIXTURE WITH REVERSE TRANSCRIPTASE INHIBITORS SUCH AS AZT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-04-27 US claimed
US-6673830-B2 COMPOUNDS FROM PLANTS OF THE GENUS CALOPHYLLUM, METHODS OF EXTRACTION AND USE AS TREATMENT FOR HUMAN IMMUMODEFICIENCY VIRUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES 2004-01-06 US claimed
EP-1200097-A2 METHOD FOR CONTROLLING THE FIDELITY AND THE EXECUTION OF REVERSE TRANSCRIPTASE BY INCORPORATING AND POLYMERISING NUCLEOTIDE ANALOGUES ACCEPTED AS SUBSTRATES OF THE REVERSE TRANSCRIPTION RESPONSE WITHOUT BLOCKING ITS ELONGATION Vigilent Technologies (FR) 2002-05-02 EP claimed
EP-1064263-A2 NONNUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE FOR THE TREATMENT OF HIV-INFECTION Parker Hughes Institute (US) 2001-01-03 EP claimed
WO-2000067698-A2 METHOD FOR CONTROLLING THE FIDELITY AND EXECUTION OF REVERSE TRANSCRIPTASE BY INCORPORATING AND POLYMERISING NUCLEOTIDE ANALOGUES ACCEPTABLE AS SUBSTRATES WITHOUT BLOCKING ITS ELONGATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-11-16 WO claimed
WO-1999047501-A2 NONNUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE FOR THE TREATMENT OF HIV-INFECTION PARKER HUGHES INSTITUTE (US) 1999-09-23 WO 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-0484071-A2 Synergism of HIV reverse transcriptase inhibitors MERCK & CO. INC. (US) 1992-05-06 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 414/4885ALDH1A1 572/4885TSHR 4865/4885
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR UPP1 309/4885ALDH1A1 1200/4885TSHR 4583/4885

“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.