SCHEMBL7213442

SCHEMBL7213442

Cc1c(-c2ccccc2)[nH]c(=S)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 3/20 0.47
KDM4E B2RXH2 1/20 0.45
PLA2G10 O15496 1/20 0.45
GAA P10253 1/20 0.45
XDH P47989 2/20 0.45
MDM2 Q00987 1/20 0.45
SIRT1 Q96EB6 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45

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
SCHEMBL20828259 0.85 POLB (0.64) HSD17B10ALDH1A1HPGDPOLBKDM4E
SCHEMBL20828257 0.80 ALDH1A1 (0.53) HSD17B10ALDH1A1HPGDPOLBKDM4E
SCHEMBL7090889 0.79 HSD17B10 (0.66) HSD17B10ALDH1A1HPGDPOLBKDM4E
SCHEMBL7091477 0.78 POLB (0.56) HSD17B10ALDH1A1HPGDPOLBXDH
SCHEMBL11740275 0.78 ALDH1A1 (0.59) HSD17B10ALDH1A1HPGDPOLBKDM4E
SCHEMBL6300081 0.77 SIRT1 (0.54) HSD17B10ALDH1A1HPGDPOLBKDM4E
SCHEMBL11736095 0.77 ALDH1A1 (0.46) HSD17B10ALDH1A1HPGDPOLBKDM4E
SCHEMBL7038229 0.77 ALDH1A1 (0.56) HSD17B10ALDH1A1HPGDKDM4EPLA2G10
SCHEMBL7545210 0.76 HSD17B10 (0.49) HSD17B10ALDH1A1HPGDPOLBKDM4E
SCHEMBL10853903 0.74 ALDH1A1 (0.64) HSD17B10ALDH1A1HPGDKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US claimed
EP-0464511-A2 Process for the preparation of acyclic, substituted nucleosides and its intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 EP claimed
US-20200270216-A1 COMPOSITIONS AND METHODS FOR INHIBITING N-SMASE2 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-27 US disclosed
US-10441588-B2 Methods and compositions for treating bacterial infection CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-10-15 US disclosed
US-10441588-B2 Methods and compositions for treating bacterial infection CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-10-15 US disclosed
EP-2844258-B1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION UNIV MICHIGAN REGENTS (US) 2019-09-11 EP disclosed
EP-2844258-B1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION UNIV MICHIGAN REGENTS (US) 2019-09-11 EP disclosed
WO-2019055832-A1 COMPOSITIONS AND METHODS FOR INHIBITING N-SMASE2 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-21 WO disclosed
US-20180042928-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION Nanova, Inc. 2018-02-15 US disclosed
US-20180042928-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION Nanova, Inc. 2018-02-15 US disclosed
US-9814719-B2 Methods and compositions for treating bacterial infection CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2017-11-14 US disclosed
EP-2844258-A2 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION The Regents Of The University Of Michigan (US) 2015-03-11 EP disclosed
WO-2013166282-A2 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-11-07 WO disclosed
US-RE37979-E1 Pyrimidine derivatives and anti-viral agent containing the same as active ingredient thereof MITSUBISHI CHEMICAL CORPORATION 2003-02-04 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
US-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0464511-A2 Process for the preparation of acyclic, substituted nucleosides and its intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 EP 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 (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-10441588-B2 Methods and compositions for treating bacterial infection MMP8, CUTA, ELANE HSD17B10 1891/4885ALDH1A1 2604/4885HPGD 843/4885
US-20180042928-A1 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION MMP8, CUTA, ELANE HSD17B10 1891/4885ALDH1A1 2604/4885HPGD 843/4885
US-20200270216-A1 COMPOSITIONS AND METHODS FOR INHIBITING N-SMASE2 SMN1; SMN2, PSEN2, SMPD2 HSD17B10 1232/4885ALDH1A1 3977/4885HPGD 2420/4885

“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.