SCHEMBL816810

SCHEMBL816810

O=[N+]([O-])c1cc(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ CA2 P00918 6/20 0.46
▸ CA5A P35218 3/20 0.46
▸ CA1 P00915 5/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CA3 P07451 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ CA6 P23280 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA13 Q8N1Q1 2/20 0.43
▸ CA5B Q9Y2D0 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43

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
SCHEMBL2214769 0.95 CYP19A1 (0.52) HTTKMT2AGAAALDH1A1CYP19A1
SCHEMBL2055461 0.88 ALDH1A1 (0.46) HTTKMT2AGAAALDH1A1CYP19A1
SCHEMBL20248063 0.86 KMT2A (0.42) HTTKMT2AGAAALDH1A1CYP19A1
SCHEMBL2820707 0.86 ACP1 (0.43) HTTKMT2AGAAALDH1A1CYP19A1
SCHEMBL15122462 0.86 KMT2A (0.42) HTTKMT2AGAAALDH1A1CYP19A1
SCHEMBL23113418 0.82 HTT (0.42) HTTKMT2AGAAALDH1A1CYP19A1
SCHEMBL16829550 0.82 PTGS1 (0.46) HTTKMT2AGAAALDH1A1MEN1
SCHEMBL17593373 0.82 ALDH1A1 (0.46) HTTKMT2AGAAALDH1A1CA2
SCHEMBL2310139 0.82 VCAM1 (0.65) HTTKMT2AGAAALDH1A1CYP19A1
SCHEMBL4443081 0.80 CYP19A1 (0.62) HTTKMT2AGAAALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 — — US disclosed
US-8067625-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-29 — — US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 — — US disclosed
US-8049022-B2 Fluorosurfactants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-01 — — US disclosed
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 — — US disclosed
US-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 — — US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 — — US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 — — US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 — — US disclosed
US-20090264525-A1 FLUOROSURFACTANTS MERCK PATENT GMBH (DE) 2009-10-22 — — US disclosed
WO-2008003444-A1 FLUOROSURFACANTS MERCK PATENT GMBH (DE) 2008-01-10 — — WO disclosed
US-4438245-A FOR LIGHT SENSITIVE ELEMENTS FUJI PHOTO FILM CO., LTD. (JP) 1984-03-20 — — US disclosed
US-4318864-A REACTING 1,3,5-BENZENETRISULFONYL CHLORIDE WITH AMINOBENZENESULFONIC ACID, P-TERTIARY BUTYLPHENYL ESTER AMERICAN CYANAMID COMPANY (US) 1982-03-09 — — US disclosed
US-4265908-A s-Phenenyltris(sulfonylimino)tri-benzene mono- and di-sulfonic acids and salts complement inhibitors AMERICAN CYANAMID COMPANY (US) 1981-05-05 — — US disclosed
US-4265829-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1981-05-05 — — US disclosed
EP-0013079-A1 Symm. phenyltris(sulfonylimino)tri-benzene sulfonic acids and salts, a method of inhibiting the complement system in a body fluid with such a compound, a method for the preparation of such compounds and a pharmaceutical composition comprising such a compound AMERICAN CYANAMID COMPANY (US) 1980-07-09 — — EP disclosed
US-4208346-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1980-06-17 — — US disclosed
US-4172089-A COMPLEMENT INHIBITOR TRI- OR HEXA-PHENYL ESTER INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1979-10-23 — — US disclosed
US-4117003-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-09-26 — — US disclosed
US-4042393-A Silver halide emulsion containing two equivalent type coupler for use in photography KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1977-08-16 — — 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-20090312432-A1 FLUOROSURFACTANTS SGMS2, FASN, SGMS1 HTT 3902/4885KMT2A 2019/4885GAA 4096/4885
US-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 HTT 3411/4885KMT2A 2622/4885GAA 4217/4885
US-20090264525-A1 FLUOROSURFACTANTS FASN, FFAR3, SGMS2 HTT 3520/4885KMT2A 3037/4885GAA 4240/4885

“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.

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