SCHEMBL4007056

SCHEMBL4007056

Cc1cccc(C)c1CS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TRPA1 O75762 2/20 0.36
ATM Q13315 1/20 0.36
NR3C1 P04150 1/20 0.36
TSHR P16473 2/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 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
SCHEMBL4004862 0.98 ALDH1A1 (0.39) ALDH1A1KEAP1NFE2L2CYP1A2CYP2A6
SCHEMBL7571309 0.86 GABRA1 (0.43) ALDH1A1CYP1A2NR3C1CA1CA2
SCHEMBL1714690 0.79 CA1 (0.46) ALDH1A1KEAP1NFE2L2CYP1A2CYP2A6
SCHEMBL30944268 0.79 CA1 (0.42) ALDH1A1NR3C1TSHRCA1CA2
SCHEMBL1501035 0.79 KEAP1 (0.35) ALDH1A1KEAP1NFE2L2CYP1A2CYP2A6
Octane SCHEMBL27667520 0.78 ATM (0.45) ALDH1A1TRPA1ATMMEN1MAPT
SCHEMBL4004865 0.77 TSHR (0.39) ALDH1A1KEAP1NFE2L2CYP1A2CYP2A6
SCHEMBL294361 0.77 LMNA (0.50) ALDH1A1CA2HPGDLMNAMEN1
SCHEMBL10423975 0.77 TSHR (0.46) ALDH1A1KEAP1CYP1A2CYP2A6TSHR
Fluoride SCHEMBL9120865 0.76 LMNA (0.49) ALDH1A1CA2HPGDLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309502-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATEMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-10-05 US claimed
WO-2023158815-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-08-24 WO claimed
EP-1237844-A1 PROCESS FOR THE PREPARATION OF SECONDARY AND TERTIARY AMINES Celgro (US) 2002-09-11 EP claimed
WO-2001044162-A1 PROCESS FOR THE PREPARATION OF SECONDARY AND TERTIARY AMINES CELGRO (US) 2001-06-21 WO claimed
US-6107521-A Process for the preparation of secondary amines CELGRO (US) 2000-08-22 US claimed
US-20230309502-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATEMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-10-05 US disclosed
WO-2023158815-A1 ANIMAL LITTER COMPOSITIONS AND METHOD OF AMMONIA ABATMENT CONTROLLED RELEASE TECHNOLOGIES, INC. (US) 2023-08-24 WO disclosed
EP-1718605-B1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES WYETH CORP (US) 2009-06-17 EP disclosed
EP-1718605-B1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES WYETH CORP (US) 2009-06-17 EP disclosed
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-7321061-B2 Processes for the preparation of aryl- and heteroaryl-alkylsulfonyl halides WYETH (US) 2008-01-22 US disclosed
US-7321061-B2 Processes for the preparation of aryl- and heteroaryl-alkylsulfonyl halides WYETH (US) 2008-01-22 US disclosed
US-7321061-B2 Processes for the preparation of aryl- and heteroaryl-alkylsulfonyl halides WYETH (US) 2008-01-22 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1718605-A1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES Wyeth (US) 2006-11-08 EP disclosed
WO-2005082843-A1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES WYETH (US) 2005-09-09 WO disclosed
US-20050187408-A1 Processes for the preparation of aryl-and heteroaryl-alkylsulfonyl halides WYETH (US) 2005-08-25 US disclosed
US-6107521-A Process for the preparation of secondary amines CELGRO (US) 2000-08-22 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 ALDH1A1 2899/4885KEAP1 4017/4885NFE2L2 826/4885
US-20050187408-A1 Processes for the preparation of aryl-and heteroaryl-alkylsulfonyl halides ARSA, AHR, STS ALDH1A1 2095/4885KEAP1 1959/4885NFE2L2 2209/4885

“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.