SCHEMBL5412423

SCHEMBL5412423

C=CC(N)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TLR9 Q9NR96 1/20 0.41
GAA P10253 2/20 0.41
GBA1 P04062 1/20 0.39
G6PD P11413 2/20 0.39
VDR P11473 1/20 0.38
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL1075417 0.82 CA12 (0.39) CA12CA1CA2CA9CA3
SCHEMBL5011366 0.79 GAA (0.45) CA12CA1CA2CA9CA3
SCHEMBL26984162 0.79 TLR9 (0.42) CA12CA1CA2CA9CA3
SCHEMBL26984140 0.79 TLR9 (0.42) CA12CA1CA2CA9CA3
SCHEMBL7008174 0.78 CA1 (0.48) CA12CA1CA2CA9CA3
SCHEMBL8205673 0.78 TLR9 (0.40) CA12CA1CA2CA9CA3
SCHEMBL24805444 0.77 TLR9 (0.43) CA12CA1CA2CA9CA3
SCHEMBL2723487 0.76 GBA1 (0.38) CA12CA1CA2CA9CA3
SCHEMBL7758373 0.76 ALDH1A1 (0.41) CA12CA1CA2CA9CA3
SCHEMBL23255717 0.76 TLR9 (0.38) CA12CA1CA2CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884056-B Aminopyrimidine SSAO inhibitors 伊莱利利公司 2022-01-07 CN claimed
EP-0254623-B1 AMINOALKYLTHIO TRIAZOLOPYRIDINE OR TRIAZOLOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM, PARTICULARLY USEFUL AS ANTALGICS LABORATOIRES UPSA (FR) 1993-06-09 EP claimed
CN-114380801-A Aminopyrimidine SSAO inhibitors and methods of making the same 伊莱利利公司 2022-04-22 CN disclosed
CN-108884056-B Aminopyrimidine SSAO inhibitors 伊莱利利公司 2022-01-07 CN disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
US-20040224967-A1 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2004-11-11 US disclosed
EP-0445781-B1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC (US) 1996-01-31 EP disclosed
EP-0254623-B1 AMINOALKYLTHIO TRIAZOLOPYRIDINE OR TRIAZOLOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM, PARTICULARLY USEFUL AS ANTALGICS LABORATOIRES UPSA (FR) 1993-06-09 EP disclosed
EP-0171037-B1 3-CARBONYL-1-AMINOALKYL-1H-INDOLES USEFUL AS ANALGESICS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-06-17 EP disclosed
EP-0445781-A1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC. (US) 1991-09-11 EP disclosed
US-5013732-A Analgesics STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-4978664-A Analgesic, anti-rheumatic, and anti-inflammatory agent STERLING DRUG INC. (US) 1990-12-18 US disclosed
US-4973587-A 3-arylcarbonyl-1-aminoalkyl-1H-indole-containing antiglaucoma method STERLING DRUG INC. (US) 1990-11-27 US disclosed
US-4886805-A Novel aminoalkylthio derivatives of triazolopyridine or triazoloquinoline, the processes for their preparation, and drugs, useful especially as analgesics, in which they are present Centre D'Activite Et De Recherches Pharmaceutique Industrielle Biologique Medicale (FR) 1989-12-12 US disclosed
US-4885295-A ANALGESICS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES STERLING DRUG INC. (US) 1989-12-05 US disclosed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 US disclosed
EP-0254623-A1 Aminoalkylthio triazolopyridine or triazoloquinoline derivatives, process for their preparation, medicaments containing them, particularly useful as antalgics LABORATOIRES UPSA (FR) 1988-01-27 EP disclosed
US-4634776-A ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY STERLING DRUG, INC. (US) 1987-01-06 US disclosed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 US disclosed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 EP 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-20040224967-A1 Phenylaminopyrimidine derivatives and methods of use ABL1, ABL2, LCK CA12 4487/4885CA1 4062/4885CA2 2314/4885

“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.