SCHEMBL1929488

SCHEMBL1929488

CC(C)c1ccc(C(C)C)c(S(=O)(=O)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.44
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC9A1 P19634 1/20 0.36
SLC9A2 Q9UBY0 1/20 0.36
LMNA P02545 1/20 0.35
RNASEH1 O60930 1/20 0.35
HPGD P15428 1/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
TYR P14679 1/20 0.34
PGR P06401 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
SCHEMBL11951611 0.82 SLC9A1 (0.50) FABP3FABP4FABP5ALDH1A1SMN1; SMN2
SCHEMBL25754886 0.81 LMNA (0.47) TRPV4ALDH1A1SLC9A1SLC9A2LMNA
SCHEMBL18894564 0.81 LMNA (0.48) TRPV4ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL11400623 0.81 FABP3 (0.53) FABP3FABP4FABP5ALDH1A1SMN1; SMN2
SCHEMBL17093011 0.81 ALDH1A1 (0.41) FABP3FABP4FABP5ALDH1A1SMN1; SMN2
SCHEMBL29469912 0.81 ALDH1A1 (0.41) FABP3FABP4FABP5ALDH1A1SMN1; SMN2
SCHEMBL25759570 0.79 L3MBTL1 (0.39) TRPV4ALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL4636860 0.78 CNR2 (0.43) TRPV4ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL2926545 0.77 TRPV4 (0.73) TRPV4ALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL11326388 0.77 FABP3 (0.41) FABP3FABP4FABP5ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210834-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2023-07-06 US disclosed
WO-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 WO disclosed
US-7956193-B2 Intramolecular C-H amination with sulfonyl azides UNIVERSITY OF SOUTH FLORIDA (US) 2011-06-07 US disclosed
US-7956193-B2 Intramolecular C-H amination with sulfonyl azides UNIVERSITY OF SOUTH FLORIDA (US) 2011-06-07 US disclosed
US-20100063277-A1 Intramolecular C-H amination with sulfonyl azides NATIONAL SCIENCE FOUNDATION 2010-03-11 US disclosed
US-20100063277-A1 Intramolecular C-H amination with sulfonyl azides NATIONAL SCIENCE FOUNDATION 2010-03-11 US disclosed
US-20100063277-A1 Intramolecular C-H amination with sulfonyl azides NATIONAL SCIENCE FOUNDATION 2010-03-11 US disclosed
EP-1265858-B1 HYDROGEN REDUCTION OF SULFONYL CHLORIDES TO THIOLS DU PONT (US) 2004-05-19 EP disclosed
US-6667421-B2 Hydrogenating an aryl sulfonyl chloride with hydrogen in a solvent in the presence of a palladium catalyst and a base whose conjugate acid pka is >/=2 E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-23 US disclosed
US-20030055290-A1 Hydrogen reduction of sulfonyl chlorides to thiols THE TEXAS A&M UNIVERSITY SYSTEM 2003-03-20 US disclosed
EP-1265858-A1 HYDROGEN REDUCTION OF SULFONYL CHLORIDES TO THIOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-12-18 EP disclosed
WO-2001066517-A1 HYDROGEN REDUCTION OF SULFONYL CHLORIDES TO THIOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-09-13 WO disclosed
US-3997603-A Herbicidal halo-di-alkyl benzenesulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-14 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-20230210834-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR EMG1, TRDMT1, BCDIN3D TRPV4 4398/4885FABP3 3629/4885FABP4 3753/4885
US-20100063277-A1 Intramolecular C-H amination with sulfonyl azides TST, TIMM9, PPOX TRPV4 2464/4885FABP3 3466/4885FABP4 3834/4885
US-20030055290-A1 Hydrogen reduction of sulfonyl chlorides to thiols TST, IAPP, CBS TRPV4 3909/4885FABP3 2928/4885FABP4 2449/4885

“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.