SCHEMBL6038485

SCHEMBL6038485

NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.64
CA2 P00918 18/20 0.64
CA12 O43570 14/20 0.64
CA9 Q16790 14/20 0.64
CA4 P22748 8/20 0.64
CA6 P23280 7/20 0.64
CA5A P35218 7/20 0.64
CA7 P43166 7/20 0.64
CA14 Q9ULX7 7/20 0.64
CA5B Q9Y2D0 7/20 0.64
CA3 P07451 6/20 0.64
CA13 Q8N1Q1 6/20 0.61
CISD1 Q9NZ45 1/20 0.61
LMNA P02545 1/20 0.50
CYP2C9 P11712 1/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5014186 0.95 CA1 (0.70) CA1CA2CA12CA9CA4
SCHEMBL3500908 0.89 CA1 (0.56) CA1CA2CA12CA9CA4
SCHEMBL1806519 0.83 CA1 (0.76) CA1CA2CA12CA9CA4
SCHEMBL3267605 0.81 CA12 (0.56) CA1CA2CA12CA9CA4
SCHEMBL20485809 0.81 CA1 (0.55) CA1CA2CA12CA9CA4
SCHEMBL1806516 0.81 CA1 (0.55) CA1CA2CA12CA9CA4
SCHEMBL11554555 0.81 CA1 (0.61) CA1CA2CA12CA9CA4
SCHEMBL1807804 0.80 CA1 (0.79) CA1CA2CA12CA9CA4
SCHEMBL11132234 0.80 CA1 (0.79) CA1CA2CA12CA9CA4
SCHEMBL5245480 0.80 CA1 (0.55) CA1CA2CA12CA9CA4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385507-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-11-23 EP claimed
EP-1385507-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 EP claimed
WO-2002089792-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO claimed
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF ASUBIO PHARMA CO., LTD (JP) 2009-10-08 US disclosed
US-20060004010-A1 Ccr4 antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1541563-A1 CCR4 ANTAGONIST AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP disclosed
WO-2004080389-A2 HYDROXYEICOSADIENAMIDE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-09-23 WO disclosed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
US-4486603-A Preparation of trans cyclohexane 1,4-diamine AKZONA INCORPORATED (US) 1984-12-04 US disclosed
US-4439370-A Preparation of trans cyclohexane 1,4-diisocyanate AKZONA INCORPORATED (US) 1984-03-27 US disclosed
US-4275223-A Preparation of trans-cyclohexane-1,4-diurethanes AKZONA INCORPORATED (US) 1981-06-23 US disclosed
US-4203916-A Preparation of trans cyclohexane 1,4 diisocyanate AKZONA INCORPORATED (US) 1980-05-20 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-20060004010-A1 Ccr4 antagonist and medical use thereof CCR4, CCR1, CCR9 CA1 838/4885CA2 743/4885CA12 667/4885
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI CA1 418/4885CA2 187/4885CA12 352/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 CA1 695/4885CA2 869/4885CA12 810/4885

“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.