SCHEMBL3760039

SCHEMBL3760039

COc1ccc2c(c1)S(=O)(=O)NC(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 1.00
CA2 P00918 8/20 1.00
CA4 P22748 8/20 1.00
CA7 P43166 8/20 1.00
CA9 Q16790 8/20 1.00
CA1 P00915 7/20 1.00
ABCC8 Q09428 1/20 0.56
KCNJ11 Q14654 1/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
ALDH1A1 P00352 1/20 0.45
PDE7A Q13946 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALPI P09923 1/20 0.41
SNCA P37840 1/20 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
SCHEMBL29766352 1.00 CA12 (1.00) CA12CA2CA4CA7CA9
SCHEMBL4500272 0.78 CA12 (1.00) CA12CA2CA4CA7CA9
SCHEMBL31371162 0.77 ABCC8 (0.67) CA12CA2CA4CA7CA9
SCHEMBL10636828 0.77 CA12 (0.62) CA12CA2CA4CA7CA9
SCHEMBL16277684 0.75 CA12 (1.00) CA12CA2CA4CA7CA9
SCHEMBL8492205 0.75 CA12 (1.00) CA12CA2CA4CA7CA9
SCHEMBL375359 0.75 CA12 (1.00) CA12CA2CA4CA7CA9
SCHEMBL29766350 0.75 CA12 (1.00) CA12CA2CA4CA7CA9
SCHEMBL4501749 0.74 CA12 (0.64) CA12CA2CA4CA7CA9
SCHEMBL5186168 0.73 CA12 (0.63) CA12CA2CA4CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US claimed
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
EP-2038286-B1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
EP-2038286-B1 PYRRO[1,2-B]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-7842838-B2 Pyrro[1,2-b]pyridazinone intermediates ANADYS PHARMACEUTICALS, INC. (US) 2010-11-30 US disclosed
US-7842838-B2 Pyrro[1,2-b]pyridazinone intermediates ANADYS PHARMACEUTICALS, INC. (US) 2010-11-30 US disclosed
US-7842838-B2 Pyrro[1,2-b]pyridazinone intermediates ANADYS PHARMACEUTICALS, INC. (US) 2010-11-30 US disclosed
US-20090312570-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC (US) 2009-12-17 US disclosed
US-20090312570-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC (US) 2009-12-17 US disclosed
EP-1502916-A1 PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-02 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
WO-2004052312-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
WO-2004052313-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 WO disclosed
WO-1999032467-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-07-01 WO disclosed
US-5314884-A Antidepressants, anxiolytic agents TROPONWERKE GMBH & CO. (DE) 1994-05-24 US disclosed
US-5187276-A Anxiolytics, neuroleptics, antidepressants, and nootropic agents TROPONWERKE GMBH & CO. KG. (DE) 1993-02-16 US disclosed
US-4988809-A CENTRAL NERVOUS SYSTEM TROPONWERKE GMBH & CO., KG (DE) 1991-01-29 US disclosed
US-4937343-A NEUROLEPTICS OR ANTIDEPRESSANTS TROPONWERKE GMBH & CO. KG (DE) 1990-06-26 US disclosed
US-4818756-A CENTRAL NERVOUS SYSTEM DISORDERS TROPONWERKE GMBH & CO., KG (DE) 1989-04-04 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 (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-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A CA12 4594/4885CA2 4004/4885CA4 4586/4885
US-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 CA12 4222/4885CA2 4750/4885CA4 4527/4885
US-20090312570-A1 PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, CYP4B1, CYP1B1 CA12 4877/4885CA2 4878/4885CA4 4861/4885

“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.