SCHEMBL1711541

SCHEMBL1711541

O=S(=O)(NBr)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ MMP1 P03956 1/20 0.58
▸ MMP2 P08253 1/20 0.58
▸ MMP9 P14780 1/20 0.58
▸ MMP8 P22894 1/20 0.58
▸ MMP13 P45452 1/20 0.58
▸ KEAP1 Q14145 3/20 0.56
▸ IL1RN P18510 1/20 0.56
▸ ERAP1 Q9NZ08 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.52
▸ PKM P14618 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ IDO1 P14902 1/20 0.48
▸ BCAT1 P54687 1/20 0.47

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
SCHEMBL11526475 0.97 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL2371757 0.80 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL20242664 0.79 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL29653769 0.78 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL992761 0.78 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL798074 0.78 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL92828 0.77 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL6822933 0.76 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL5490940 0.76 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL1302465 0.76 CA1 (0.61) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087687-A Method for direct carbon-hydrogen alkynylation of thioamide-oriented aromatic hydrocarbon 宁夏大学 2021-07-09 — — CN claimed
CN-109422748-A The method for synthesizing TNNI3K inhibitor 南京理工大学 2019-03-05 — — CN claimed
WO-2007044001-A1 AMINO ACID-CONTAINING COMPOUNDS AND DERIVATIVES LABELED WITH HALIDES AND METHOD OF MAKING GENERAL ELECTRIC COMPANY (US) 2007-04-19 — — WO claimed
US-20060074231-A1 Amino acid-containing compounds and derivatives labeled with halides and method of making GENERAL ELECTRIC COMPANY 2006-04-06 — — US claimed
CN-1228765-A New amidino derivatives and their use as thrombin inhibitors ASTRA AB (SE) 1999-09-15 — — CN claimed
US-4260540-A SPIN DYEING POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 — — US claimed
US-4225489-A Heterocyclic azo dyes and pigments containing 4-quinazolinone moieties BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 — — US claimed
US-4146496-A ALKALI METAL N-BROMO ARYL SULFONAMIDE PROMOTER COLGATE-PALMOLIVE COMPANY (US) 1979-03-27 — — US claimed
US-4051320-A PROCESS FOR PREPARING ALKOXYLATED DERIVATIVES OF CEPHALOSPORIN COMPOUNDS SANKYO COMPANY LIMITED (JA) 1977-09-27 — — US claimed
US-4032348-A METHOD FOR FORMING PHASE HOLOGRAMS FUJI PHOTO FILM CO., LTD. (JA) 1977-06-28 — — US claimed
JP-57018630-A — — None — — JP disclosed
JP-58057337-A — — None — — JP disclosed
CN-115745910-B Chemical compound 安塔比奥公司 2025-05-27 — — CN disclosed
EP-3655405-B1 CHEMICAL COMPOUNDS ANTABIO SAS (FR) 2023-06-07 — — EP disclosed
CN-110446708-B Chemical compound 安塔比奥公司 2022-12-02 — — CN disclosed
US-4086251-A POLYPROPYLENE, POLYBUTYLENE WITH AN ANHYDRIDE STANDARD OIL COMPANY (INDIANA) (US) 1978-04-25 — — US disclosed
US-4051320-A PROCESS FOR PREPARING ALKOXYLATED DERIVATIVES OF CEPHALOSPORIN COMPOUNDS SANKYO COMPANY LIMITED (JA) 1977-09-27 — — US disclosed
US-4032348-A METHOD FOR FORMING PHASE HOLOGRAMS FUJI PHOTO FILM CO., LTD. (JA) 1977-06-28 — — US disclosed
US-4008168-A Polybutene composition containing halogen-containing additives and use thereof STANDARD OIL COMPANY (INDIANA) (US) 1977-02-15 — — US disclosed
US-3954812-A REACTING POLYBUTENE AND MALEIC ANHYDRIDE STANDARD OIL COMPANY (US) 1976-05-04 — — 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 (1 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-20060074231-A1 Amino acid-containing compounds and derivatives labeled with halides and method of making BCAT2, BCAT1, AADAT CA1 765/4885CA2 2305/4885MMP1 3183/4885

“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.

Send feedback