SCHEMBL454786

SCHEMBL454786

COc1c[c]ccc1SC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
TSHR P16473 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 1/20 0.31
ATM Q13315 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL1966020 0.83 MAPT (0.35) POLBTSHRCA12CA1CA2
SCHEMBL11704413 0.82 CA12 (0.31) CA12CA1CA2CA4CA7
SCHEMBL6478684 0.79 AR (0.33) MAPTKDM4EALDH1A1HSD17B10
SCHEMBL16956175 0.79 MAPT (0.35) POLBTSHRSMN1; SMN2LMNAMAPT
SCHEMBL10683512 0.79 ALDH1A1 (0.34) TSHRMAPTKDM4EALDH1A1HPGD
SCHEMBL3542612 0.77 AR (0.31)
SCHEMBL27999345 0.77 HTR2A (0.40)
SCHEMBL8565328 0.76 AR (0.41) POLBCA12CA1CA2CA4
SCHEMBL456572 0.75
SCHEMBL8674 0.75 CA2 (0.46) POLBTSHRCA12CA1CA2

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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US claimed
US-6017675-A POLYMERIZATION CATALYST CIBA SPECIALTY CHEMIALS CORPORATION (US) 2000-01-25 US claimed
CN-1153926-A Oximesulfonic acid esters and use thereof as latent sulfonic acids CIBA GEIGY AG (CH) 1997-07-09 CN claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-9006187-B2 Thiophene derivative as SGLT2 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2015-04-14 US disclosed
US-20130172278-A1 NOVEL THIOPHENE DERIVATIVE AS SGLT2 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2013-07-04 US disclosed
WO-2012033390-A2 NOVEL THIOPHENE DERIVATIVE AS SGLT2 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-03-15 WO disclosed
US-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US disclosed
EP-0154887-B1 NEW 2,5-DIARYL TETRAHYDROTHIOPHENES AND ANALOGS THEREOF AS PAF-ANTAGONISTS MERCK & CO. INC. (US) 1989-01-25 EP disclosed
EP-0257921-A2 New 1,3-diaryl cyclopentanes and derivatives thereof as paf antagonists MERCK & CO. INC. (US) 1988-03-02 EP disclosed
US-4725600-A Pyrimidine compounds having activity as a cardiotonic anti-hypertensive cerebrovascular vasodilator and anti-platelet aggregation agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0199324-A2 New 2,5-diaryl tetryhydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1986-10-29 EP disclosed
US-4595693-A Method of use of 2,5-diaryl tetrahydrofurans and analogs thereof as PAF-antagonists MERCK & CO., INC. (US) 1986-06-17 US disclosed
EP-0168262-A2 Pyrimidine derivatives, processes for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 EP disclosed
EP-0154887-A1 New 2,5-diaryl tetrahydrothiophenes and analogs thereof as paf-antagonists MERCK & CO. INC. (US) 1985-09-18 EP disclosed
US-4539332-A PLATELET ACTIVATION FACTOR MERCK & CO., INC. (US) 1985-09-03 US disclosed
EP-0144804-A2 New 2,5-diaryl tetrahydrofurans and analogs thereof as paf-antagonists MERCK & CO. INC. (US) 1985-06-19 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-20130172278-A1 NOVEL THIOPHENE DERIVATIVE AS SGLT2 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SLC5A2, SLC5A1, SLC2A2 POLB 4817/4885TSHR 2842/4885CA12 3636/4885
US-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids QSOX1, HAO2, PAH POLB 2547/4885TSHR 2828/4885CA12 419/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX POLB 1635/4885TSHR 1336/4885CA12 1952/4885

“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.