SCHEMBL1095271

SCHEMBL1095271

O=S(=O)(Cl)C(Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SRC P12931 2/20 0.40
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 1/20 0.37
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
HTR6 P50406 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL3852183 0.82 TSHR (0.50) TSHRALDH1A1HSD17B10TDP1SRC
SCHEMBL4589500 0.78 SRC (0.54) TSHRALDH1A1TDP1SRCCYP2C19
SCHEMBL4440349 0.78 TSHR (0.46) TSHRALDH1A1SRCDPP4F2
SCHEMBL5200599 0.78 TSHR (0.46) TSHRALDH1A1HSD17B10TDP1SRC
SCHEMBL5200608 0.78 TSHR (0.46) TSHRALDH1A1HSD17B10TDP1SRC
SCHEMBL5886893 0.77 CYP2C19 (0.48) TSHRALDH1A1HSD17B10TDP1SRC
SCHEMBL9449886 0.77 TSHR (0.74) TSHRALDH1A1HSD17B10TDP1SRC
SCHEMBL1412817 0.77 ALDH1A1 (0.46) TSHRALDH1A1HSD17B10TDP1SRC
SCHEMBL1500758 0.76 CYP19A1 (0.40) ALDH1A1HSD17B10TDP1CYP2C19LMNA
SCHEMBL11574577 0.76 CA1 (0.47) TSHRALDH1A1HSD17B10SRCCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4131619-A Preparation of 2-chloro-4-toluenesulfonyl chloride THE DOW CHEMICAL COMPANY (US) 1978-12-26 US claimed
EP-2546239-B1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS INC (US) 2015-04-08 EP disclosed
EP-2546239-B1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS INC (US) 2015-04-08 EP disclosed
US-8871757-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2014-10-28 US disclosed
US-8871757-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2014-10-28 US disclosed
US-8871757-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2014-10-28 US disclosed
WO-2014165196-A1 DETECTION OF GAS-PHASE ANALYTES USING LIQUID CRYSTALS PLATYPUS TECHNOLOGIES, LLC (US) 2014-10-09 WO disclosed
US-8455514-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-8455514-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-8455514-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
CN-101184729-A Cytosolic phospholipase A2Inhibitors WYETH CORP (US) 2008-05-21 CN disclosed
EP-1919464-A1 OXADIAZOLE COMPOUNDS AS UROKINASE INHIBITORS Wilex AG (DE) 2008-05-14 EP disclosed
WO-2007025718-A1 OXADIAZOLE COMPOUNDS AS UROKINASE INHIBITORS WILEX AG (DE) 2007-03-08 WO disclosed
EP-1534268-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-11-02 EP disclosed
US-20060128783-A1 Tyrosine kinase inhibitors DINSMORE CHRISTOPHER J 2006-06-15 US disclosed
EP-1534268-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004014300-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 WO disclosed
US-4141808-A Manganese carbonyl-sulfonyl chloride photoinitiators for radiation polymerizable unsaturated compounds EASTMAN KODAK COMPANY (US) 1979-02-27 US disclosed
US-4131619-A Preparation of 2-chloro-4-toluenesulfonyl chloride THE DOW CHEMICAL COMPANY (US) 1978-12-26 US disclosed
US-4131619-A Preparation of 2-chloro-4-toluenesulfonyl chloride THE DOW CHEMICAL COMPANY (US) 1978-12-26 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-20060128783-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 TSHR 375/4885ALDH1A1 2298/4885HSD17B10 4326/4885

“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.