SCHEMBL3396033

SCHEMBL3396033

Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.62
SUMO2 P61956 3/20 0.56
SUMO1 P63165 3/20 0.56
SENP7 Q9BQF6 3/20 0.56
SENP2 Q9HC62 3/20 0.56
ATIC P31939 2/20 0.56
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
SENP1 Q9P0U3 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
SENP3 Q9H4L4 1/20 0.42
MEN1 O00255 1/20 0.42
APP P05067 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL7593522 1.00 TTR (0.62) TTRSUMO2SUMO1SENP7SENP2
SCHEMBL30091340 0.98 TTR (0.65) TTRSUMO2SUMO1SENP7SENP2
SCHEMBL29459902 0.98 TTR (0.65) TTRSUMO2SUMO1SENP7SENP2
SCHEMBL147723 0.98 TTR (0.65) TTRSUMO2SUMO1SENP7SENP2
SCHEMBL30903869 0.96 TTR (0.62) TTRSUMO2SUMO1SENP7SENP2
SCHEMBL29283501 0.96 TTR (0.62) TTRSUMO2SUMO1SENP7SENP2
SCHEMBL29575401 0.96 TTR (0.62) TTRSUMO2SUMO1SENP7SENP2
Nitrogen SCHEMBL27709531 0.95 TTR (0.61) TTRSUMO2SUMO1SENP7SENP2
SCHEMBL6382527 0.95 TTR (0.61) TTRSUMO2SUMO1SENP7SENP2
SCHEMBL6382532 0.89 SUMO2 (0.50) TTRSUMO2SUMO1SENP7SENP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121339-B Co-production process of 3-hydroxy-2-methyl benzoate and 3-methoxy-2-methyl benzoate 江苏永安化工有限公司 2022-10-11 CN disclosed
CN-113121339-A Co-production process of 3-hydroxy-2-methyl benzoate and 3-methoxy-2-methyl benzoate 江苏永安化工有限公司 2021-07-16 CN disclosed
EP-2248860-A1 AN ORANGE ACTIVE DYE AND THE PREPARATION THEREOF Tianjin Dek Chemical Co., Ltd (CN) 2010-11-10 EP disclosed
US-20050222455-A1 Method for producing 3-hydroxy-2-methylbenzoic acid BAYER CHEMICALS AG (DE) 2005-10-06 US disclosed
US-20040260119-A1 Preparation of 3-alkoxy-2-methylbenzoic acids LANXESS DEUTSCHLAND GMBH (DE) 2004-12-23 US disclosed
CN-1468834-A Preparation of 3-alkoxy-2-methyl benzoic acid 2004-01-21 CN disclosed
US-6215022-B1 REACTING DISODIUM 3-AMINO-1,5-NAPHTHALENEDISULFONIC ACID WITH POTASSIUM HYDROXIDE BAYER AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-4079051-A 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs CIBA-GEIGY CORPORATION (US) 1978-03-14 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 (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-20040260119-A1 Preparation of 3-alkoxy-2-methylbenzoic acids TET2, ALKBH2, ALKBH3 TTR 2201/4885SUMO2 2300/4885SUMO1 3554/4885

“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.