SCHEMBL2813586

SCHEMBL2813586

O=C(O)C(CCl)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL23754689 1.00 SRC (0.33) SRCTSHRLMNACHRM1AKR1A1
SCHEMBL9952505 0.81 TSHR (0.32) TSHRLMNA
SCHEMBL4654971 0.80 CHRM1 (0.38) SRCCHRM1AKR1A1CHRM3HTR2A
SCHEMBL3264628 0.78 OR51E2 (0.39) SRCCHRM1AKR1A1CHRM3HTR2A
SCHEMBL10698540 0.76 TDP1 (0.43) SRCTSHRLMNATDP1
SCHEMBL987086 0.76 TDP1 (0.43) SRCTSHRLMNATDP1
SCHEMBL890709 0.76 CHRM1 (0.40) SRCCHRM1AKR1A1CHRM3HTR2A
SCHEMBL9777404 0.76 TDP1 (0.43) SRCTSHRLMNATDP1
SCHEMBL2722766 0.76 SLC22A6 (0.37) SRC
SCHEMBL10698543 0.76 TDP1 (0.43) SRCTSHRLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121519-A1 NATURAL POLYMERIC EMULSIFIERS AND METHOD FOR USE AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-05-17 US claimed
US-4732710-A SEEDING AND CRYSTALLIZATION NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-03-22 US claimed
US-4438047-A FROM ACETIC ACID AND CHLOROSULFONIC ACID NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1984-03-20 US claimed
EP-0052294-B1 PROCESS FOR THE PREPARATION OF AN ANHYDROUS AND AN AQUEOUS 3-CHLORO-2-SULFOPROPIONIC ACID REAGENT AND ISOLATION OF THE ACID National Starch and Chemical Corporation (US) 1984-02-08 EP claimed
US-4387221-A Alkyl- and alkenyl-sulfosuccinate starchhalf-esters, a method for the preparation thereof NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1983-06-07 US claimed
EP-0025830-B1 NOVEL STARCH ETHER DERIVATIVES, A METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN PAPER National Starch and Chemical Corporation (US) 1983-05-25 EP claimed
US-4379919-A Starch sulfomaleate half-esters, a method for their preparation and their use to prepare starch disulfosuccinate half-esters NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1983-04-12 US claimed
EP-0052294-A1 Process for the preparation of an anhydrous and an aqueous 3-chloro-2-sulfopropionic acid reagent and isolation of the acid National Starch and Chemical Corporation (US) 1982-05-26 EP claimed
US-4260738-A FOR USE IN PAPERMAKING NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1981-04-07 US claimed
EP-0025830-A1 Novel starch ether derivatives, a method for the preparation thereof and their use in paper National Starch and Chemical Corporation (US) 1981-04-01 EP claimed
US-4119487-A FROM 3-CHLORO-2-SULFOPROPIONIC ACID NATIONAL STARCH & CHEMICAL CORPORATION (US) 1978-10-10 US claimed
US-8444820-B2 Aqueous composition containing at least one soluble gelatinized anionic starch ROQUETTE FRERES (FR) 2013-05-21 US disclosed
US-20120121519-A1 NATURAL POLYMERIC EMULSIFIERS AND METHOD FOR USE AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-05-17 US disclosed
US-20120121519-A1 NATURAL POLYMERIC EMULSIFIERS AND METHOD FOR USE AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-05-17 US disclosed
US-20120121519-A1 NATURAL POLYMERIC EMULSIFIERS AND METHOD FOR USE AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-05-17 US disclosed
US-4167621-A Method for preparing starch ether derivatives NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1979-09-11 US disclosed
US-4167621-A Method for preparing starch ether derivatives NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1979-09-11 US disclosed
US-4125732-A HYPOLIPIDEMIC AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed
US-4119487-A FROM 3-CHLORO-2-SULFOPROPIONIC ACID NATIONAL STARCH & CHEMICAL CORPORATION (US) 1978-10-10 US disclosed
US-4119487-A FROM 3-CHLORO-2-SULFOPROPIONIC ACID NATIONAL STARCH & CHEMICAL CORPORATION (US) 1978-10-10 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 (1 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-20120121519-A1 NATURAL POLYMERIC EMULSIFIERS AND METHOD FOR USE ALG1, PHOSPHO1, DDOST SRC 3456/4885TSHR 4476/4885LMNA 549/4885

“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.