SCHEMBL6851691

SCHEMBL6851691

Cc1ccc(S([O])(=O)=O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
HSD17B2 P37059 2/20 0.41
CSNK2A1 P68400 1/20 0.41
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL11047492 0.84 TRPA1 (0.52) TRPA1TP53TDP1LMNACHRM1
SCHEMBL942110 0.83 TRPA1 (0.50) TRPA1TP53TDP1LMNACHRM1
SCHEMBL9796162 0.83 TRPA1 (0.50) TRPA1TP53TDP1LMNACHRM1
SCHEMBL3632070 0.83 TRPA1 (0.50) TRPA1TP53TDP1LMNACHRM1
SCHEMBL17272412 0.81 TRPA1 (0.48) TRPA1TP53TDP1LMNACHRM1
Ammonia Solution, Strong SCHEMBL17272173 0.81 TRPA1 (0.48) TRPA1TP53TDP1LMNACHRM1
SCHEMBL31306394 0.81 TRPA1 (0.48) TRPA1TP53TDP1LMNACHRM1
Water SCHEMBL11269395 0.81 TRPA1 (0.48) TRPA1TP53TDP1LMNACHRM1
SCHEMBL17272460 0.81 TRPA1 (0.48) TRPA1TP53TDP1LMNACHRM1
Ammonia Solution, Strong SCHEMBL17272172 0.81 TRPA1 (0.48) TRPA1TP53TDP1LMNACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6783913-B2 POLYMERIC ACETAL RESIN CONTAINS UNITS (A), (B), (C), (D), AND (E). UNIT (A) IS A VINYL ALCOHOL UNIT. UNIT; (B) IS A POLYVINYL ACETAL UNIT CONTAINING AN R GROUP, WHERE R IS HYDROGEN, AN ALIPHATIC GROUP, AN AROMATIC GROUP, OR AN KODAK POLYCHROME GRAPHICS LLC 2004-08-31 US claimed
US-20030198887-A1 Polymeric acetal resins containing free radical inhibitors and their use in lithographic printing EASTMAN KODAK COMPANY 2003-10-23 US claimed
US-10005794-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine STELLA PHARMA CORPORATION (JP) 2018-06-26 US disclosed
US-20160311836-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE STELLA PHARMA CORPORATION (JP) 2016-10-27 US disclosed
US-6657066-B1 Forming a 1H-pyrazolo (1,5-b)-(1,2,4)-triazole compound by cyclization of pyrazoloamidine compound comprising reacting amidine with oxidizing agent in presence of halogen EASTMAN KODAK COMPANY 2003-12-02 US disclosed
EP-0618919-A1 IODINIUM SALTS AND METHOD OF PREPARING THEM. WACKER CHEMIE GMBH (DE) 1994-10-12 EP disclosed
WO-1993013110-A1 IODINIUM SALTS AND METHOD OF PREPARING THEM WACKER-CHEMIE GMBH (DE) 1993-07-08 WO 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-10005794-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine NPR1, NPFFR2, NPFFR1 TRPA1 2977/4885TP53 3799/4885TDP1 4336/4885
US-20160311836-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE NPR1, NPFFR2, NPFFR1 TRPA1 2977/4885TP53 3799/4885TDP1 4336/4885

“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.