SCHEMBL1701124

SCHEMBL1701124

O=C(CBr)c1ccc(O)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.57
SNCA P37840 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GSK3B P49841 8/20 0.48
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
GRIN2B Q13224 1/20 0.45
ACHE P22303 1/20 0.43

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
SCHEMBL29471126 1.00 PTPN1 (0.57) PTPN1SNCAKDM4ELMNAHSD17B10
SCHEMBL366866 0.84 PTPN1 (0.61) PTPN1GSK3B
SCHEMBL29628387 0.84 PTPN1 (0.61) PTPN1GSK3B
SCHEMBL28440957 0.82 SNCA (0.50) SNCAKDM4ELMNAHSD17B10ESR1
SCHEMBL8343669 0.82 PTPN1 (0.59) PTPN1KDM4EGSK3B
SCHEMBL5455143 0.81 KDM4E (0.49) SNCAKDM4ELMNAHSD17B10GSK3B
SCHEMBL4597302 0.81 MAPT (0.55) SNCAKDM4ELMNAHSD17B10ESR1
SCHEMBL2953875 0.81 PTPN1 (0.57) PTPN1GSK3B
SCHEMBL3973133 0.79 GSK3B (0.55) PTPN1GSK3B
SCHEMBL29499477 0.79 GSK3B (0.55) PTPN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974420-B1 N-ALKYLARYL-5-OXYHETEROARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B NOVARTIS AG (CH) 2023-08-16 EP disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
EP-3683207-B1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS INC (US) 2021-12-29 EP disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
US-10781174-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[C]pyrrole negative allosteric modulators of NR2B CADENT THERAPEUTICS, INC. (US) 2020-09-22 US disclosed
US-20190152912-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2019-05-23 US disclosed
US-20180111902-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B LUC THERAPEUTICS, INC. (US) 2018-04-26 US disclosed
US-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B LUC THERAPEUTICS, INC. 2017-03-16 US disclosed
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2003-12-04 US disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CHEN LI (US) 2002-10-17 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 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 (9 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-20170071906-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A PTPN1 1292/4885SNCA 1081/4885KDM4E 1904/4885
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 PTPN1 2573/4885SNCA 4708/4885KDM4E 973/4885
US-10781174-B2 N-alkylaryl-5-oxyaryl-octahydro-cyclopenta[C]pyrrole negative allosteric modulators of NR2B GRIN2A, GRIN2C, GRIN3A PTPN1 237/4885SNCA 139/4885KDM4E 717/4885
US-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 PTPN1 3491/4885SNCA 1430/4885KDM4E 4533/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 PTPN1 2032/4885SNCA 1454/4885KDM4E 2460/4885
US-20180111902-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B OXER1, OPRL1, OXGR1 PTPN1 553/4885SNCA 475/4885KDM4E 1820/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 PTPN1 2056/4885SNCA 1370/4885KDM4E 2706/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 PTPN1 3491/4885SNCA 1430/4885KDM4E 4533/4885
US-20190152912-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A PTPN1 237/4885SNCA 139/4885KDM4E 717/4885

“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.