SCHEMBL388018

SCHEMBL388018

CS(=O)(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.86
PTGS2 P35354 6/20 0.61
MELK Q14680 1/20 0.60
MAP4K4 O95819 2/20 0.58
MINK1 Q8N4C8 2/20 0.58
TNIK Q9UKE5 2/20 0.58
FYN P06241 1/20 0.58
PTGS1 P23219 1/20 0.57
SCD O00767 1/20 0.53
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
LMNA P02545 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL1535 0.93 ENPP2 (1.00) ENPP2PTGS2MELKMAP4K4MINK1
SCHEMBL16361390 0.88 ENPP2 (0.67) ENPP2PTGS2MELKMAP4K4MINK1
SCHEMBL10300269 0.87 PTGS2 (0.62) ENPP2PTGS2PTGS1CA12CA2
SCHEMBL7677302 0.87 PTGS2 (0.62) ENPP2PTGS2PTGS1CA12CA2
SCHEMBL7940666 0.86 ENPP2 (0.86) ENPP2PTGS2MELKMAP4K4MINK1
Formic Acid SCHEMBL28859433 0.84 ENPP2 (0.82) ENPP2PTGS2MELKMAP4K4MINK1
SCHEMBL29768635 0.82 ESR1 (0.62) ENPP2PTGS2MAP4K4MINK1TNIK
SCHEMBL27621305 0.82 ESR1 (0.62) ENPP2PTGS2MAP4K4MINK1TNIK
Hydrochloric Acid SCHEMBL30712192 0.81 ESR1 (0.60) ENPP2PTGS2MAP4K4MINK1TNIK
Bromide SCHEMBL30069821 0.81 ESR1 (0.60) ENPP2PTGS2MAP4K4MINK1TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406609-A2 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2004-04-14 EP claimed
EP-1406609-A4 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2004-04-14 EP claimed
WO-2002060378-A2 SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2002-08-08 WO claimed
US-11389456-B2 Compounds and methods for treating oxalate-related diseases OXALURX, INC. (US) 2022-07-19 US disclosed
US-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. 2020-12-17 US disclosed
WO-2019165159-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES OXALURX, INC. (US) 2019-08-29 WO disclosed
CN-102639500-B Tricyclic compound, preparation method and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2015-02-11 CN disclosed
EP-2010485-B1 AZETIDINE DERIVATIVES AS G-PROTEIN COUPLED RECEPTOR (GPR119 ) AGONISTS PROSIDION LTD (GB) 2012-10-17 EP disclosed
CN-102639500-A Tricyclic compound, preparation method and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2012-08-15 CN disclosed
CN-102432598-A Tricyclic compound, preparation method thereof and pharmaceutical application thereof JIANGSU HENGRUI MEDICINE CO 2012-05-02 CN disclosed
WO-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed
EP-1406609-A2 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2004-04-14 EP disclosed
EP-1406609-A4 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2004-04-14 EP disclosed
WO-2002060378-A2 SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2002-08-08 WO disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
EP-0508424-B1 Method for preparing sulfones SANKO KAIHATSU KAGAKU KENK (JP) 1998-02-04 EP disclosed
US-5248828-A Method for preparing sulfones SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1993-09-28 US disclosed
US-5235084-A METHOD FOR PREPARING SULFONES SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1993-08-10 US disclosed
EP-0508424-A2 Method for preparing sulfones Sanko Kaihatsu Kagaku Kenkyusho (JP) 1992-10-14 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 (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-20200390778-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES XDH, PNPO, LOX ENPP2 72/4885PTGS2 618/4885MELK 3893/4885
US-11389456-B2 Compounds and methods for treating oxalate-related diseases XDH, PNPO, LOX ENPP2 72/4885PTGS2 618/4885MELK 3893/4885

“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.