SCHEMBL4003594

SCHEMBL4003594

Cc1ccccc1CS(=O)(=O)O.[Na]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA2 P00918 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HPGD P15428 2/20 0.41
CTBP2 P56545 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
CHRM2 P08172 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL294361 0.98 LMNA (0.50) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL4003590 0.96 LMNA (0.49) LMNAALDH1A1GAAMEN1KMT2A
Fluoride SCHEMBL9120865 0.96 LMNA (0.49) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL10939770 0.83 ESR1 (0.43) LMNAALDH1A1GAACA2CA12
SCHEMBL10398011 0.82 TSHR (0.42) LMNAALDH1A1MEN1KMT2ACA2
SCHEMBL27661203 0.82 ALDH1A1 (0.50) LMNAALDH1A1GAAKMT2ACA2
Hydrochloric Acid SCHEMBL28259960 0.82 ESR1 (0.42) LMNAALDH1A1GAACA2CA12
SCHEMBL776517 0.80 ALDH1A1 (0.50) LMNAALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL11757162 0.80 TSHR (0.40) LMNAALDH1A1MEN1KMT2ACA2
SCHEMBL294360 0.78 ALDH1A1 (0.53) LMNAALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718605-B1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES WYETH CORP (US) 2009-06-17 EP disclosed
US-7321061-B2 Processes for the preparation of aryl- and heteroaryl-alkylsulfonyl halides WYETH (US) 2008-01-22 US 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

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-20050187408-A1 Processes for the preparation of aryl-and heteroaryl-alkylsulfonyl halides ARSA, AHR, STS LMNA 3901/4885ALDH1A1 2095/4885GAA 1355/4885

“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.