SCHEMBL9628601

SCHEMBL9628601

CS(=N)(=O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
PLCG1 P19174 1/20 0.50
MMP2 P08253 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 1/20 0.46
CA1 P00915 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
GAA P10253 2/20 0.43
F2 P00734 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
IDO1 P14902 1/20 0.42
ENPP2 Q13822 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP2A6 P11509 1/20 0.40
CDK1 P06493 1/20 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
Hydrochloric Acid SCHEMBL9628587 0.98 CA2 (0.50) CA2PLCG1MMP2CA12CA9
SCHEMBL29025607 0.79 CA2 (0.56) CA2PLCG1MMP2CA12CA9
SCHEMBL387826 0.79 CA2 (0.56) CA2PLCG1MMP2CA12CA9
SCHEMBL488382 0.77 GAA (0.59) CA2MMP2CA12CA9CA1
Bromide SCHEMBL31482341 0.77 CA2 (0.54) CA2PLCG1MMP2CA12CA9
SCHEMBL20590400 0.76 PLCG1 (0.52) CA2PLCG1MMP2CA12CA9
SCHEMBL24698628 0.75 CA2 (0.65) CA2PLCG1MMP2CA12CA9
SCHEMBL3929345 0.75 TSHR (0.56) CA2MMP2CA12CA9CA1
SCHEMBL17642663 0.75 CA1 (0.46) CA2MMP2CA12CA9CA1
SCHEMBL23145865 0.75 ENPP2 (0.41) CA2CA12CA9CA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665730-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2025-12-24 EP disclosed
US-12291529-B2 Heterocyclic GLP-1 agonists GASHERBRUM BIO, INC. (US) 2025-05-06 US disclosed
WO-2025073057-A1 METHODS FOR PREPARING SULFILIMINES AND SULFOXIMINES FROM THIOETHERS USING O-(DIPHENYLPHOSPHINYL)HYDROXYL AMINE (DPPH), AND AMATOXIN ANALOGS PREPARED FROM SUCH METHODS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2025-04-10 WO disclosed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
US-20240376105-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2024-11-14 US disclosed
US-20240327404-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO INC (US) 2024-10-03 US disclosed
US-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2024-08-29 US disclosed
WO-2024169952-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2024-08-22 WO disclosed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 US disclosed
EP-4347590-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2024-04-10 EP disclosed
EP-3022210-A1 NEW AZABENZIMIDAZOLE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2016-05-25 EP disclosed
WO-2016054807-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-04-14 WO disclosed
WO-2016031842-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING EFFECT 塩野義製薬株式会社 2016-03-03 WO disclosed
WO-2016020031-A1 PYRROLIDINONE DERIVATIVES AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-02-11 WO disclosed
US-20150025065-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 US disclosed
US-20150025065-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 US disclosed
US-20150025065-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 US disclosed
WO-2015007669-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 WO disclosed
WO-2015007669-A1 NEW AZABENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 WO disclosed
US-5140026-A N-aminoalkyl-S-aryl-S-alkyl (or substituted alkyl) sulfoximines as antiarrhythmic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1992-08-18 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 (7 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-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 CA2 4851/4885PLCG1 3595/4885MMP2 3720/4885
US-20240376105-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, IAPP CA2 3758/4885PLCG1 1102/4885MMP2 2369/4885
US-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 CA2 4395/4885PLCG1 4483/4885MMP2 4497/4885
US-20150025065-A1 NEW AZABENZIMIDAZOLE DERIVATIVES PRKAR2B, PRKAB1, PRKAB2 CA2 2641/4885PLCG1 3193/4885MMP2 4160/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 CA2 4628/4885PLCG1 4557/4885MMP2 4379/4885
US-12291529-B2 Heterocyclic GLP-1 agonists GLP1R, GIPR, IAPP CA2 3758/4885PLCG1 1102/4885MMP2 2369/4885
US-20240327404-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, IAPP CA2 3758/4885PLCG1 1102/4885MMP2 2369/4885

“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.