SCHEMBL756834

SCHEMBL756834

C=CCNS(=O)(=O)CC=C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.30

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
Hydrogen Sulfide SCHEMBL28249500 0.97 TSHR (0.34) TSHRMAPK1CA12CA1CA2
Fluoride SCHEMBL28144875 0.97 TSHR (0.34) TSHRMAPK1CA12CA1CA2
SCHEMBL8978078 0.80 CA12 (0.32) TSHRMAPK1CA12CA1CA2
SCHEMBL9780354 0.79
SCHEMBL19687777 0.77
SCHEMBL1325482 0.75 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL3692254 0.75
SCHEMBL4793302 0.75
SCHEMBL974911 0.75 TSHR (0.36) TSHRMAPK1CA12CA1CA2
SCHEMBL253162 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024135652-A1 REISSERT-HENZE REACTION USING PHOSPHONIC ACID ANHYDRIDE AS ACTIVATOR AGC株式会社 2024-06-27 WO claimed
CN-105683835-B Laminated body, organic semiconductor manufacture are manufactured with set group and organic semiconductor uses light resistance composition 富士胶片株式会社 2019-11-26 CN claimed
CN-109988085-A The preparation method of low 1,3- the third dialkyl group sulfonic acid of metal ion content 张家港市国泰华荣化工新材料有限公司 2019-07-09 CN claimed
CN-105683835-A Laminate, organic-semiconductor manufacturing kit, and resist composition for manufacturing organic semiconductor 富士胶片株式会社 2016-06-15 CN claimed
CN-104987330-A HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH 2015-10-21 CN claimed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US claimed
EP-2892344-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
US-8961837-B2 Photosensitive resin composition for color filter and color filter using same CHEIL INDUSTRIES INC. (KR) 2015-02-24 US claimed
CN-104059068-A Beta-amino-carbonyl compound, preparation method, its pharmaceutical composition and application thereof SHANGHAI INST MATERIA MEDICA 2014-09-24 CN claimed
WO-2014037313-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
CN-1046898-A 1-Aryimidazole insecticides RHONE POULENC AGROCHIMIE (FR) 1990-11-14 CN claimed
EP-0332064-A2 Benzocycloheptene derivatives, pharmaceutical preparations containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1989-09-13 EP claimed
US-4863947-A PESTICIDES, INSECTICIDES ROHM AND HAAS (US) 1989-09-05 US claimed
EP-0073875-B1 AZO DYESTUFFS, PROCESS FOR THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1988-09-07 EP claimed
CN-87103552-A Adopt malonate derivative to improve crop yield 1988-07-06 CN claimed
US-4663341-A Insecticidal n-aryl-3-aryl-4,5-dihydro-1h-pyrazole-1-carboxamides ROHM AND HAAS COMPANY (US) 1987-05-05 US claimed
US-4268591-A YELLOW COUPLER CIBA-GEIGY AG (CH) 1981-05-19 US claimed
US-4231741-A BENZOXAZOLYL-STILBENES AND ARYLTRIAZOLES; SYNERGISTIC HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-04 US claimed
US-4151287-A Combating fungi with 1-diaryloxy-1-triazolyl-3,3-dimethyl-butan-2-ones and butan-2-ols BAYER AKTIENGESELLSCHAFT (DE) 1979-04-24 US claimed
US-4035144-A Dyeing preparations containing boric acid for preparing water-insoluble azo dyestuffs on fiber HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 US claimed

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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 TSHR 1544/4885MAPK1 650/4885CA12 4515/4885

“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.