SCHEMBL20135772

SCHEMBL20135772

c1csc(CCCc2cccs2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.73
TSHR P16473 2/20 0.55
ADRA2A P08913 3/20 0.52
ADRA2B P18089 3/20 0.52
ADRA2C P18825 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL20146704 0.94 TAAR1 (0.73) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL7116263 0.92 TAAR1 (0.70) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL8571535 0.92 TAAR1 (0.70) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL6734915 0.92 TAAR1 (0.70) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL29720358 0.89 TAAR1 (0.59) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL2030841 0.88 TAAR1 (0.71) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL6333918 0.87 TAAR1 (0.57) TAAR1TSHRADRA2AADRA2BADRA2C
SCHEMBL13463911 0.85
SCHEMBL80666 0.85
SCHEMBL94727 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093323-B Beta-functionalized chiral homoallylic alcohol derivative and preparation method and application thereof 武汉大学 2023-12-22 CN disclosed
CN-115093323-A Beta-functionalized chiral homoallyl alcohol derivative and preparation method and application thereof 武汉大学 2022-09-23 CN disclosed
EP-3321291-B1 CATALYST COMPOSITION COMPRISING NOVEL TRANSITION METAL COMPOUND LG CHEMICAL LTD (KR) 2022-05-18 EP disclosed
EP-3321291-B1 CATALYST COMPOSITION COMPRISING NOVEL TRANSITION METAL COMPOUND LG CHEMICAL LTD (KR) 2022-05-18 EP disclosed
US-10947327-B2 Catalyst composition including novel transition metal compound LG CHEM, LTD. 2021-03-16 US disclosed
US-10947327-B2 Catalyst composition including novel transition metal compound LG CHEM, LTD. 2021-03-16 US disclosed
US-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-07-31 US disclosed
US-20180201697-A1 CATALYST COMPOSITION INCLUDING NOVEL TRANSITION METAL COMPOUND LG CHEM, LTD. (KR) 2018-07-19 US disclosed
US-20180201697-A1 CATALYST COMPOSITION INCLUDING NOVEL TRANSITION METAL COMPOUND LG CHEM, LTD. (KR) 2018-07-19 US disclosed
US-20180201697-A1 CATALYST COMPOSITION INCLUDING NOVEL TRANSITION METAL COMPOUND LG CHEM, LTD. (KR) 2018-07-19 US disclosed
EP-3321291-A1 CATALYST COMPOSITION COMPRISING NOVEL TRANSITION METAL COMPOUND LG Chem, Ltd. (KR) 2018-05-16 EP disclosed
EP-3321291-A1 CATALYST COMPOSITION COMPRISING NOVEL TRANSITION METAL COMPOUND LG Chem, Ltd. (KR) 2018-05-16 EP disclosed
US-20170044130-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE 2017-02-16 US disclosed
US-9512109-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2016-12-06 US disclosed
US-20150368234-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE 2015-12-24 US disclosed
US-20150291571-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE 2015-10-15 US disclosed
US-20130236434-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2013-09-12 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 (7 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-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 TAAR1 1134/4885TSHR 396/4885ADRA2A 36/4885
US-10947327-B2 Catalyst composition including novel transition metal compound COG4, MCM4, ZNF436-AS1 TAAR1 3759/4885TSHR 4773/4885ADRA2A 4800/4885
US-20130236434-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 TAAR1 1098/4885TSHR 405/4885ADRA2A 33/4885
US-20180201697-A1 CATALYST COMPOSITION INCLUDING NOVEL TRANSITION METAL COMPOUND COG4, MCM4, ZNF436-AS1 TAAR1 3759/4885TSHR 4773/4885ADRA2A 4800/4885
US-20170044130-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 TAAR1 1098/4885TSHR 405/4885ADRA2A 33/4885
US-20150291571-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 TAAR1 1134/4885TSHR 396/4885ADRA2A 36/4885
US-20150368234-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 TAAR1 1134/4885TSHR 396/4885ADRA2A 36/4885

“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.