SCHEMBL397474

SCHEMBL397474

O=C(O)c1cc(S(=O)(=O)Cl)c(F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA3 P07451 2/20 0.54
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54
CA5A P35218 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA13 Q8N1Q1 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
CISD1 Q9NZ45 2/20 0.54
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EPHX2 P34913 1/20 0.46
ATM Q13315 1/20 0.44
TSHR P16473 3/20 0.41

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
SCHEMBL20449207 0.93 CA12 (0.50) CA12CA1CA2CA3CA4
SCHEMBL397881 0.87 POLB (0.41) CA12CA1CA2CA3CA4
SCHEMBL3201757 0.86 CISD1 (0.50) CA12CA1CA2CA3CA4
SCHEMBL3856779 0.86 CA12 (0.54) CA12CA1CA2CA3CA4
SCHEMBL3527127 0.85 CA12 (0.41) CA12CA1CA2CA3CA4
SCHEMBL330135 0.84 CA12 (0.72) CA12CA1CA2CA3CA4
SCHEMBL8574555 0.84 CA12 (0.53) CA12CA1CA2CA3CA4
SCHEMBL31704157 0.83 CA12 (0.70) CA12CA1CA2CA3CA4
SCHEMBL4716674 0.83 CA12 (0.70) CA12CA1CA2CA3CA4
SCHEMBL21623207 0.81 CA12 (0.54) CA12CA1CA2CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-09-09 US disclosed
CN-112912368-A Inhibitors of hepatitis B virus 圣拉斐尔医院有限公司 2021-06-04 CN disclosed
EP-3823957-A1 INHIBITORS OF HEPATITIS B VIRUS Ospedale San Raffaele S.r.l. (IT) 2021-05-26 EP disclosed
WO-2020016427-A1 INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 WO disclosed
WO-2020016434-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 WO disclosed
EP-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 EP disclosed
EP-3597653-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 EP disclosed
EP-2382191-B1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE BAHAMAS LTD (BS) 2014-11-12 EP disclosed
US-8741899-B2 (4-chloro-2-fluoro-N-(2-fluorophenyl)-5-[(8aR)-hexahydropyrrolo-[1,2-a]pyrazin-2(1H)-ylcarbonyl]-benzenesulfonamide, and pharmaceutically acceptable salts thereof ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-08-15 US disclosed
CN-1249039-C Inhibitors of 11 beta-hydroxysteroid dehydrogenase type I BIOVITRUM AB (SE) 2006-04-05 CN disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2004-11-11 US disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
US-20040048895-A1 Caspase-1 inhibitors and methods for their use SUNESIS PHARMACEUTICALS, INC. 2004-03-11 US disclosed
WO-2003103599-A2 CASPASE-1 INHIBITORS AND METHODS FOR THEIR USE SUNESIS PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
CN-1438997-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type I BIOVITRUM AB (SE) 2003-08-27 CN disclosed
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO disclosed
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 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-20130210827-A1 NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, RYR2, RYR1 CA12 3024/4885CA1 651/4885CA2 137/4885
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 CA12 2504/4885CA1 1209/4885CA2 2263/4885
US-20040048895-A1 Caspase-1 inhibitors and methods for their use CASP1, CASP2, CASP9 CA12 4586/4885CA1 1218/4885CA2 1907/4885
US-20210276967-A1 INHIBITORS OF HEPATITIS B VIRUS HAVCR2, SLC10A1, HDGF CA12 2198/4885CA1 3251/4885CA2 3007/4885

“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.