SCHEMBL17833435

SCHEMBL17833435

Cn1ccc2ccsc2c1=S

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
LPO P22079 1/20 0.31
INMT O95050 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
SCHEMBL13061921 0.76 BRD9 (0.43) CYP2A6
SCHEMBL22215584 0.76 CYP2A6 (0.32) CYP2A6
SCHEMBL22796965 0.76 KDM4E (0.43) CYP2A6
SCHEMBL22166994 0.76 PDE4B (0.30) CYP2A6
SCHEMBL18418923 0.76 CYP2A6 (0.30) CYP2A6
SCHEMBL18464511 0.73 PDE7A (0.31)
SCHEMBL24653241 0.73
SCHEMBL21594783 0.71 PDE7A (0.33)
SCHEMBL17933520 0.70
SCHEMBL24225308 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087475-A1 REVERSE TRANSCRIPTION OF POLYNUCLEOTIDES COMPRISING UNNATURAL NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2022-04-28 WO disclosed
EP-3943607-A1 IMPORT OF UNNATURAL OR MODIFIED NUCLEOSIDE TRIPHOSPHATES INTO CELLS VIA NUCLEIC ACID TRIPHOSPHATE TRANSPORTERS The Scripps Research Institute (US) 2022-01-26 EP disclosed
US-20210222147-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF SANOFI (FR) 2021-07-22 US disclosed
WO-2021072167-A1 COMPOSITIONS AND METHODS FOR IN VIVO SYNTHESIS OF UNNATURAL POLYPEPTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-15 WO disclosed
WO-2021067313-A1 EUKARYOTIC SEMI-SYNTHETIC ORGANISMS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-08 WO disclosed
WO-2020256639-A1 AN APTAMER FOR DENGUE VIRUS AND RELATED METHODS AND PRODUCTS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-24 WO disclosed
WO-2020252262-A1 REAGENTS AND METHODS FOR REPLICATION, TRANSCRIPTION, AND TRANSLATION IN SEMI-SYNTHETIC ORGANISMS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-17 WO disclosed
WO-2020163532-A1 IL-2 CONJUGATES AND METHODS OF USE THEREOF Synthorx, Inc. (US) 2020-08-13 WO disclosed
EP-3656781-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES The Scripps Research Institute (US) 2020-05-27 EP disclosed
US-20200095591-A1 IMPORT OF UNNATURAL OR MODIFIED NUCLEOSIDE TRIPHOSPHATES INTO CELLS VIA NUCLEIC ACID TRIPHOSPHATE TRANSPORTERS THE SCRIPPS RESEARCH INSTITUTE 2020-03-26 US disclosed
US-10513706-B2 Import of unnatural or modified nucleoside triphosphates into cells via nucleic acid triphosphate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2019-12-24 US disclosed
WO-2019014267-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS THEREOF Synthorx, Inc. (US) 2019-01-17 WO disclosed
US-20170029829-A1 IMPORT OF UNNATURAL OR MODIFIED NUCLEOSIDE TRIPHOSPHATES INTO CELLS VIA NUCLEIC ACID TRIPHOSPHATE TRANSPORTERS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-02 US disclosed
US-20160168187-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES Synthorx, Inc. (US) 2016-06-16 US 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 (4 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-20200095591-A1 IMPORT OF UNNATURAL OR MODIFIED NUCLEOSIDE TRIPHOSPHATES INTO CELLS VIA NUCLEIC ACID TRIPHOSPHATE TRANSPORTERS NUDT1, UPP1, UMPS CYP2A6 4072/4885SLC6A2 326/4885SLC6A4 698/4885
US-20160168187-A1 A METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES RNGTT, POLM, POLRMT CYP2A6 3111/4885SLC6A2 2221/4885SLC6A4 2305/4885
US-20170029829-A1 IMPORT OF UNNATURAL OR MODIFIED NUCLEOSIDE TRIPHOSPHATES INTO CELLS VIA NUCLEIC ACID TRIPHOSPHATE TRANSPORTERS NUDT1, UPP1, UMPS CYP2A6 4072/4885SLC6A2 326/4885SLC6A4 698/4885
US-10513706-B2 Import of unnatural or modified nucleoside triphosphates into cells via nucleic acid triphosphate transporters NUDT1, UPP1, UMPS CYP2A6 4072/4885SLC6A2 326/4885SLC6A4 698/4885

“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.