SCHEMBL6380343

SCHEMBL6380343

O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1.[NaH].[NaH].[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.55
ATIC P31939 3/20 0.47
SUMO2 P61956 2/20 0.47
SUMO1 P63165 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP2 Q9HC62 2/20 0.47
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP6 P55212 1/20 0.42
MPL P40238 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
TIMP3 P35625 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 2/20 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
SCHEMBL6556646 1.00 TTR (0.55) TTRATICSUMO2SUMO1SENP7
SCHEMBL8892668 1.00 TTR (0.55) TTRATICSUMO2SUMO1SENP7
SCHEMBL3032086 0.98 TTR (0.56) TTRATICSUMO2SUMO1SENP7
SCHEMBL7162743 0.98 TTR (0.56) TTRATICSUMO2SUMO1SENP7
SCHEMBL31151117 0.98 TTR (0.56) TTRATICSUMO2SUMO1SENP7
SCHEMBL6385053 0.96 TTR (0.55) TTRATICSUMO2SUMO1SENP7
SCHEMBL3816121 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL27502670 0.86 NSD2 (0.49) TTRATICCYP1A2ALDH1A1HSD17B10
SCHEMBL8028660 0.84 TTR (0.72) TTRATICSUMO2SUMO1SENP7
SCHEMBL3899723 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222455-A1 Method for producing 3-hydroxy-2-methylbenzoic acid BAYER CHEMICALS AG (DE) 2005-10-06 US claimed
US-6891060-B2 Preparation of 3-acyloxy-2-methylbenzoic acids BAYERAKTIENGESELLSCHAFT (DE) 2005-05-10 US claimed
US-20040044243-A1 Preparation of 3-acyloxy-2-methylbenzoic acids LANXESS DEUTSCHLAND GMBH (DE) 2004-03-04 US claimed
US-20180048011-A1 HIGH pH ORGANIC FLOW BATTERY U.S. DEPARTMENT OF ENERGY 2018-02-15 US disclosed
US-20050222455-A1 Method for producing 3-hydroxy-2-methylbenzoic acid BAYER CHEMICALS AG (DE) 2005-10-06 US disclosed
CN-1642895-A Method for producing 3-hydroxy-2-methylbenzoic acid BAYER AG (DE) 2005-07-20 CN disclosed
US-6891060-B2 Preparation of 3-acyloxy-2-methylbenzoic acids BAYERAKTIENGESELLSCHAFT (DE) 2005-05-10 US disclosed
US-20040260119-A1 Preparation of 3-alkoxy-2-methylbenzoic acids LANXESS DEUTSCHLAND GMBH (DE) 2004-12-23 US disclosed
US-20040044243-A1 Preparation of 3-acyloxy-2-methylbenzoic acids LANXESS DEUTSCHLAND GMBH (DE) 2004-03-04 US disclosed
US-6562859-B1 A method of inhibiting the onset of non-TNF- alpha dependent inflammation, which comprises administering to a mammal exposed to an inflammation-causing condition or disease an inflammation- inhibiting effective amount of a compound of the THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-05-13 US disclosed
WO-1999027939-A1 UREIDO DERIVATIVES OF POLY-4-AMINO-2-CARBOXY-1-METHYL PYRROLE COMPOUNDS FOR INHIBITION OF INFLAMMATION THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-06-10 WO disclosed
US-5593976-A New ureido derivatives of poly-4-amino-2-carboxy-1-methyl compounds FARMITALIA CARLO ERBA S R L (IT) 1997-01-14 US disclosed
EP-0462258-B1 UREIDO DERIVATIVES OF POLY-4-AMINO-2-CARBOXY-1-METHYL COMPOUNDS PHARMACIA SPA (IT) 1995-12-20 EP disclosed
US-5420296-A Ureido derivatives of poly-4-amino-2-carboxy-1-methyl compounds FARMITALIA CARLO ERBA S R L (IT) 1995-05-30 US disclosed
US-5260329-A Ureido derivatives of poly-4-amino-2-carboxy-1-methyl compounds FARMITALIA CARLO ERBA SRL (IT) 1993-11-09 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-20040260119-A1 Preparation of 3-alkoxy-2-methylbenzoic acids TET2, ALKBH2, ALKBH3 TTR 2201/4885ATIC 1165/4885SUMO2 2300/4885
US-20040044243-A1 Preparation of 3-acyloxy-2-methylbenzoic acids TET2, NAAA, APEH TTR 2553/4885ATIC 1491/4885SUMO2 2450/4885

“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.