SCHEMBL1968935

SCHEMBL1968935

COC(=O)CCS(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
CA12 O43570 5/20 0.52
CA14 Q9ULX7 5/20 0.52
LMNA P02545 3/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA2 P00918 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
RECQL P46063 1/20 0.37
TXNRD1 Q16881 1/20 0.36

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
SCHEMBL4968131 0.86 TSHR (0.61) TSHRCA12CA14LMNAKMT2A
SCHEMBL9955449 0.82 TSHR (0.56) TSHRCA12CA14LMNAKMT2A
SCHEMBL4006668 0.82 TSHR (0.56) TSHRCA12CA14LMNAKMT2A
SCHEMBL24129382 0.81 TSHR (0.52) TSHRCA12CA14LMNAKMT2A
SCHEMBL4374105 0.80 TSHR (0.57) TSHRCA12CA14LMNAKMT2A
SCHEMBL14575726 0.79 KMT2A (0.48) TSHRCA12CA14LMNAKMT2A
SCHEMBL1621069 0.78 TSHR (0.55) TSHRCA12CA14LMNAKMT2A
SCHEMBL4448825 0.78 KMT2A (0.33) TSHRCA12CA14KMT2A
SCHEMBL9270029 0.78 TSHR (0.55) TSHRCA12CA14LMNAKMT2A
SCHEMBL11922841 0.78 TSHR (0.55) TSHRCA12CA14LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023211103-A1 FLUORINATED ALKYL SULFONE COMPOUND, AND NON-AQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND SECONDARY BATTERY INCLUDING SAME 주식회사 천보 2023-11-02 WO disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
CN-114981245-A Tricyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2022-08-30 CN disclosed
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 US disclosed
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 US disclosed
EP-3535255-A1 PYRIDAZINE DERIVATIVES AS RORC MODULATORS H. Hoffnabb-La Roche Ag (CH) 2019-09-11 EP disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 US disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 US disclosed
US-9849112-B2 Pyrrole compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2017-12-26 US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
US-20080075960-A1 CURABLE COMPOSITIONS AND BIOFILM-RESISTANT COATINGS THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2008-03-27 US disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
EP-1084123-A1 NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-03-21 EP disclosed
US-6187780-B1 ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-13 US disclosed
WO-1999054331-A1 NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO 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 (6 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-11008312-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA TSHR 123/4885CA12 3595/4885CA14 4618/4885
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TSHR 1187/4885CA12 4114/4885CA14 4465/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TSHR 1187/4885CA12 4114/4885CA14 4465/4885
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA TSHR 123/4885CA12 3595/4885CA14 4618/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A TSHR 2526/4885CA12 4618/4885CA14 3905/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A TSHR 2526/4885CA12 4618/4885CA14 3905/4885

“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.