SCHEMBL1744012

SCHEMBL1744012

O=S(=O)(O)c1cc2ccccc2cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 1/20 0.43
TTR P02766 1/20 0.43
FABP4 P15090 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK14 Q16539 1/20 0.43
MPL P40238 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
ATIC P31939 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTRC Q99895 1/20 0.42
NR4A1 P22736 1/20 0.42
LMNA P02545 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
SCHEMBL31331373 0.86 MPL (0.47) TSHRSMN1; SMN2CYP2D6MPLHIF1A
SCHEMBL2956866 0.86 MPL (0.47) TSHRSMN1; SMN2CYP2D6MPLHIF1A
SCHEMBL1804448 0.84 TSHR (0.38) TSHRSMN1; SMN2CYP2D6TTRFABP4
SCHEMBL11580148 0.84 LMNA (0.39) TSHRSMN1; SMN2CYP2D6TTRFABP4
SCHEMBL29674878 0.84 IDO1 (0.47) TSHRSMN1; SMN2CYP2D6TTRFABP4
SCHEMBL343463 0.84 IDO1 (0.47) TSHRSMN1; SMN2CYP2D6TTRFABP4
Ammonia Solution, Strong SCHEMBL14645369 0.84 MPL (0.46) CYP2D6MPLHIF1AHSD17B10CTRC
SCHEMBL1804445 0.84 TSHR (0.38) TSHRSMN1; SMN2CYP2D6TTRFABP4
SCHEMBL343462 0.84 MYC (0.39) TSHRSMN1; SMN2CYP2D6TTRFABP4
SCHEMBL4131552 0.84 TSHR (0.38) TSHRSMN1; SMN2CYP2D6TTRFABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709660-B2 Polymethine ether compounds YAMAMOTO CHEMICALS, INC. (JP) 2010-05-04 US claimed
EP-0820284-B1 BIOLOGICALLY ACTIVE UREIDO DERIVATIVES USEFUL IN THE TREATMENT OF MULTIPLE SCLEROSIS PHARMACIA & UPJOHN SPA (IT) 2000-02-02 EP claimed
CN-108707094-A A kind of synthesis of 2,6- naphthalenedisulfonic acids and the method for purification 浙江龙盛化工研究有限公司 2018-10-26 CN disclosed
US-20170255102-A1 PATTERN TRIMMING COMPOSITIONS AND METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2017-09-07 US disclosed
US-20170255102-A1 PATTERN TRIMMING COMPOSITIONS AND METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2017-09-07 US disclosed
US-20150125985-A1 ETCHING FLUID AND PRODUCTION METHOD FOR SILICON-BASED SUBSTRATE USING SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-07 US disclosed
EP-2849211-A1 ETCHING FLUID AND PRODUCTION METHOD FOR SILICON-BASED SUBSTRATE USING SAME Wako Pure Chemical Industries, Ltd. (JP) 2015-03-18 EP disclosed
CN-104303317-A Etching solution and method for producing silicon substrate using same WAKO PURE CHEM IND LTD 2015-01-21 CN disclosed
CN-102417839-A Fuel antistatic agent and application thereof OIL RES INST OF THE AIR FORCE PLA 2012-04-18 CN disclosed
EP-2386560-A1 Crystalline clopidogrel naphthalenesulfonate hydrate, method for preparing same and pharmaceutical composition containing same Hanmi Holdings Co., Ltd. (KR) 2011-11-16 EP disclosed
CN-1938319-B Crystalline clopidogrel naphthalenesulfonate or hydrate thereof, preparation method thereof, and pharmaceutical composition containing same HANMI PHARM IND CO LTD 2010-05-12 CN disclosed
US-7446212-B2 Polymethine ethers YAMAMOTO CHEMICALS, INC. (JP) 2008-11-04 US disclosed
CN-1938319-A Crystalline clopidogrel naphthalenesulfonate or hydrate thereof, preparation method thereof, and pharmaceutical composition containing same HANMI PHARM IND CO LTD (KR) 2007-03-28 CN disclosed
EP-1732932-A1 CRYSTALLINE CLOPIDOGREL NAPHTHALENESULFONATE OR HYDRATE THEREOF, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Hanmi Pharm. Co., Ltd. (KR) 2006-12-20 EP disclosed
US-20060167272-A1 Intermediates for the production of polymethine compounds containing a desired counter ion with high purity and in high yields; improving the solubility in solvents, the compatibility with resins, the durability and the sensitivity to laser beams SONY CORPORATION (JP) 2006-07-27 US disclosed
EP-1637520-A1 POLYMETHINE ETHERS Yamamoto Chemicals, Inc. (JP) 2006-03-22 EP disclosed
WO-2005097804-A1 CRYSTALLINE CLOPIDOGREL NAPHTHALENESULFONATE OR HYDRATE THEREOF, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HANMI PHARM. CO., LTD. (KR) 2005-10-20 WO disclosed
US-20050228012-A1 Crystalline clopidogrel naphthalenesulfonate or hydrate thereof, method for preparing same and pharmaceutical composition containing same HANMI PHARM. CO., LTD. 2005-10-13 US disclosed
US-4670600-A Preparation of substituted amines SANDOZ PHARM. CORP. (US) 1987-06-02 US disclosed
US-4115058-A BLEACHES, DETERGENTS FMC CORPORATION (US) 1978-09-19 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 (2 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-20050228012-A1 Crystalline clopidogrel naphthalenesulfonate or hydrate thereof, method for preparing same and pharmaceutical composition containing same P2RY6, NUDT1, AGPS TSHR 3895/4885SMN1; SMN2 3873/4885CYP2D6 16/4885
US-20060167272-A1 Intermediates for the production of polymethine compounds containing a desired counter ion with high purity and in high yields; improving the solubility in solvents, the compatibility with resins, the durability and the sensitivity to laser beams XRCC5, LTB4R2, LTB4R TSHR 2925/4885SMN1; SMN2 4333/4885CYP2D6 2563/4885

“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.