SCHEMBL13680440

SCHEMBL13680440

COc1cc(C)c(Br)cc1S(=O)(=O)Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
TRPV4 Q9HBA0 1/20 0.50
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
GLA P06280 2/20 0.45
KMT2A Q03164 2/20 0.42
PKM P14618 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
PRKDC P78527 1/20 0.38
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL10572860 0.85 TRPV4 (0.53) TSHRSMN1; SMN2CYP1A2CYP2C19TRPV4
SCHEMBL31535823 0.85 TRPV4 (0.56) TSHRSMN1; SMN2TRPV4MAPK1GLA
SCHEMBL3852465 0.84 TSHR (0.62) TSHRSMN1; SMN2CYP1A2CYP2C19MAPK1
SCHEMBL18726107 0.82 TSHR (0.60) TSHRSMN1; SMN2CYP1A2CYP2C19MAPK1
SCHEMBL15211776 0.82 TRPV4 (0.54) TSHRSMN1; SMN2CYP1A2CYP2C19TRPV4
Water SCHEMBL7908328 0.81 TSHR (0.59) TSHRSMN1; SMN2CYP1A2CYP2C19MAPK1
SCHEMBL21660304 0.80 TSHR (0.68) TSHRSMN1; SMN2TRPV4HTTGLA
SCHEMBL17203385 0.79 L3MBTL1 (0.51) TSHRSMN1; SMN2CYP1A2CYP2C19TRPV4
SCHEMBL2266115 0.78 TRPV4 (0.62) TSHRSMN1; SMN2TRPV4MAPK1HTT
SCHEMBL5835370 0.77 TRPV4 (0.52) TSHRSMN1; SMN2TRPV4MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912597-B ROR gamma inhibitor, preparation method and medical application thereof 赛诺哈勃药业(成都)有限公司 2023-06-13 CN disclosed
CN-115611877-A Sulfonamide compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-01-17 CN disclosed
CN-113912597-A ROR gamma inhibitor, preparation method and medical application thereof 赛诺哈勃药业(成都)有限公司 2022-01-11 CN disclosed
EP-3081553-B1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIV TSUKUBA (JP) 2018-12-12 EP disclosed
US-9815787-B2 Sulfonamide derivative or pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2017-11-14 US disclosed
US-20160362376-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2016-12-15 US disclosed
EP-3081553-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2016-10-19 EP disclosed
US-7582766-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 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-20160362376-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 TSHR 810/4885SMN1; SMN2 694/4885CYP1A2 1790/4885

“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.