SCHEMBL7303472

SCHEMBL7303472

COc1ccc(CCS(=O)(=O)Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PTGS2 P35354 1/20 0.51
MMP8 P22894 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
F2RL1 P55085 1/20 0.49
APLNR P35414 1/20 0.49
MAOB P27338 2/20 0.47
CALM1 P0DP23 1/20 0.47
CMA1 P23946 1/20 0.47
NR1H3 Q13133 1/20 0.46
GSK3A P49840 1/20 0.46

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
SCHEMBL4028531 0.84 CA12 (0.56) CA12CA1CA2CA5ACA9
SCHEMBL17225939 0.82 PTGS2 (0.72) CA12CA1CA2CA5ACA9
SCHEMBL31540563 0.81 CA12 (0.53) CA12CA1CA2CA5ACA9
SCHEMBL2115708 0.81 CA1 (0.62) CA12CA1CA2CA5ACA9
SCHEMBL3298473 0.80 APLNR (0.52) CA12CA1CA2CA5ACA9
SCHEMBL28854259 0.79 MMP8 (0.54) CA12CA1CA2CA5ACA9
Hydrochloric Acid SCHEMBL20551658 0.79 RECQL (0.61) CA12CA1CA2CA5ACA9
SCHEMBL18249746 0.79 ALDH1A1 (0.54) CA12CA1CA2CA5ACA9
SCHEMBL30137221 0.78 AOC3 (0.51) CA12CA1CA2CA5ACA9
SCHEMBL14770119 0.78 CA12 (0.50) CA12CA1CA2CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897599-B1 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES UNIV TEMPLE (US) 2020-12-30 EP disclosed
EP-3227262-B1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS INC (US) 2020-05-13 EP disclosed
CN-110776447-A Substituted alkyl diaryl derivatives, preparation method and use 坦普尔大学 2020-02-11 CN disclosed
US-10428041-B2 Pyridyl reverse sulfonamides for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2019-10-01 US disclosed
US-20190152940-A1 Pyridyl Reverse Sulfonamides For HBV Treatment NOVIRA THERAPEUTICS, INC. 2019-05-23 US disclosed
US-10207989-B2 Substituted alkyl diaryl derivatives, methods of preparation and uses Temple University—Of the Commonwealth System of Higher Education (US) 2019-02-19 US disclosed
US-10160742-B2 Pyridyl reverse sulfonamides for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2018-12-25 US disclosed
US-20180051000-A1 Pyridyl Reverse Sulfonamides For HBV Treatment NOVIRA THERAPEUTICS, INC. 2018-02-22 US disclosed
CN-107406378-A Sulfurized alkyl compounds and pyridine trans sulfonamide compounds for HBV treatment 诺维拉治疗公司 2017-11-28 CN disclosed
EP-3227262-A1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT Novira Therapeutics Inc. (US) 2017-10-11 EP disclosed
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
WO-2016089990-A1 SULFIDE ALKYL AND PYRIDYL REVERSE SULFONAMIDE COMPOUNDS FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. (US) 2016-06-09 WO disclosed
US-20150266819-A1 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2015-09-24 US disclosed
EP-2897599-A2 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES Temple University - Of The Commonwealth System of Higher Education (US) 2015-07-29 EP disclosed
CN-104812382-A Substituted alkyl diaryl derivatives, preparation method and use UNIV TEMPLE 2015-07-29 CN disclosed
WO-2014047110-A2 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-03-27 WO disclosed
US-5561112-A ADMINISTERING SMALL SYNTHETIC PEPTIDES(SIMILAR TO GLYCINE-ASPARTIC ACID) TO SUPPRESS THROMBOSIS SANDOZ LTD. (CH) 1996-10-01 US disclosed
EP-0560730-B1 New derivatives of beta-amino acids with anti-thrombotic activity SANDOZ LTD (CH) 1996-09-11 EP disclosed
EP-0560730-A2 New derivatives of beta-amino acids with anti-thrombotic activity SANDOZ LTD. (CH) 1993-09-15 EP disclosed
CN-1076200-A NEW DERIVATIVES OF BETA-AMINO ACIDS SANDOZ LTD (CH) 1993-09-15 CN 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-20190152940-A1 Pyridyl Reverse Sulfonamides For HBV Treatment HAVCR2, HCCS, NR1H4 CA12 3206/4885CA1 4332/4885CA2 3736/4885
US-10428041-B2 Pyridyl reverse sulfonamides for HBV treatment HAVCR2, HCCS, NR1H4 CA12 3206/4885CA1 4332/4885CA2 3736/4885
US-20180051000-A1 Pyridyl Reverse Sulfonamides For HBV Treatment HAVCR2, HCCS, NR1H4 CA12 3206/4885CA1 4332/4885CA2 3736/4885
US-20150266819-A1 SUBSTITUTED ALKYL DIARYL DERIVATIVES, METHODS OF PREPARATION AND USES CCNY, CCNB3, BOD1L1 CA12 3702/4885CA1 3536/4885CA2 3228/4885
US-10160742-B2 Pyridyl reverse sulfonamides for HBV treatment HAVCR2, HCCS, NR1H4 CA12 3206/4885CA1 4332/4885CA2 3736/4885
US-10207989-B2 Substituted alkyl diaryl derivatives, methods of preparation and uses CCNY, CCNB3, BOD1L1 CA12 3702/4885CA1 3536/4885CA2 3228/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 CA12 3206/4885CA1 4332/4885CA2 3736/4885

“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.