SCHEMBL2585091

SCHEMBL2585091

CS(=O)(=O)c1cc(Br)ccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EDNRB P24530 4/20 0.38
EDNRA P25101 4/20 0.38
WDR5 P61964 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CCR2 P41597 1/20 0.36
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL29738016 1.00 CA1 (0.40) CA1CA2TSHRGLASMN1; SMN2
SCHEMBL25053095 0.86 EDNRB (0.48) TSHRGLASMN1; SMN2EDNRBEDNRA
SCHEMBL2594694 0.83 TSHR (0.37) CA1CA2TSHRGLASMN1; SMN2
SCHEMBL1792921 0.83 WDR5 (0.40) TSHRGLASMN1; SMN2EDNRBEDNRA
SCHEMBL7376519 0.83 CYP2A6 (0.39) TSHRGLASMN1; SMN2EDNRBEDNRA
SCHEMBL25609114 0.81 GLA (0.38) CA1CA2TSHRGLASMN1; SMN2
SCHEMBL18305027 0.81 CA2 (0.42) CA1CA2TSHRGLASMN1; SMN2
SCHEMBL2555834 0.80 CCR5 (0.42) TSHRGLASMN1; SMN2L3MBTL1GAA
SCHEMBL1790851 0.80 SMN1; SMN2 (0.42) TSHRGLASMN1; SMN2EDNRBEDNRA
SCHEMBL15139967 0.80 SLC6A4 (0.41) TSHRGLASMN1; SMN2EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702404-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11702404-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
CN-114630823-A GLP-1R modulating compounds 吉利德科学公司 2022-06-14 CN disclosed
WO-2021081207-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-04-29 WO disclosed
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
US-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-11 US disclosed
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MEYERS SQUIBB COMPANY (US) 2018-08-30 US disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
EP-2566858-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS Pfizer Inc. (US) 2013-03-13 EP disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 WO disclosed
EP-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 EP disclosed
US-6369069-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
EP-1053224-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT Aventis Pharma Deutschland GmbH (DE) 2000-11-22 EP disclosed
WO-1999040064-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-08-12 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 (4 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-10316035-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 CA1 2133/4885CA2 1240/4885TSHR 1277/4885
US-20180244671-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 CA1 2133/4885CA2 1240/4885TSHR 1277/4885
US-11702404-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 CA1 4287/4885CA2 3698/4885TSHR 120/4885
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 CA1 4653/4885CA2 4120/4885TSHR 3504/4885

“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.