SCHEMBL6802546

SCHEMBL6802546

CONC(=O)C(C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.63
CXCR2 P25025 1/20 0.63
GRM7 Q14831 2/20 0.50
KMT2A Q03164 2/20 0.50
GPR88 Q9GZN0 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.50
CTSD P07339 1/20 0.46
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
PTGS2 P35354 2/20 0.45
PTGS1 P23219 1/20 0.45
MEN1 O00255 1/20 0.45
ELOVL1 Q9BW60 2/20 0.44
KCNQ2 O43526 1/20 0.44

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
SCHEMBL28625698 0.83 CXCR1 (0.66) CXCR1CXCR2KMT2AGPR88LMNA
SCHEMBL3905518 0.82 CTSD (0.62) KMT2APOLBCTSDMEN1
SCHEMBL28622615 0.81 CXCR1 (0.64) CXCR1CXCR2L3MBTL1PTGS2
SCHEMBL28711758 0.81 LMNA (0.52) CXCR1CXCR2KMT2ALMNACTSD
SCHEMBL28711757 0.81 LMNA (0.52) CXCR1CXCR2KMT2ALMNACTSD
SCHEMBL721905 0.80 GRM7 (0.53) GRM7KMT2AGPR88LMNAL3MBTL1
SCHEMBL6266741 0.80 CTSD (0.64) GRM7GPR88LMNAL3MBTL1POLB
SCHEMBL11776768 0.79 KMT2A (0.48) CXCR1CXCR2KMT2AL3MBTL1CTSD
SCHEMBL6162055 0.79 KMT2A (0.48) CXCR1CXCR2KMT2ALMNACTSD
SCHEMBL29278519 0.79 ALDH1A1 (0.56) CXCR1CXCR2GRM7KMT2AGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753405-B2 1,3,4-thiadiazole compounds and their use in treating cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-09-12 US disclosed
US-20210246131-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-08-12 US disclosed
EP-2999695-A1 SOLID FORMS OF FUNGICIDAL PYRAZOLES E. I. du Pont de Nemours and Company (US) 2016-03-30 EP disclosed
WO-2015157005-A1 SUBSTITUTED TOLYL FUNGICIDE MIXTURES E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-15 WO disclosed
EP-2912020-A1 SUBSTITUTED TOLYL FUNGICIDES E. I. du Pont de Nemours and Company (US) 2015-09-02 EP disclosed
EP-2820010-A1 BENZOFURAN- 2 - SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-01-07 EP disclosed
EP-2809157-A2 FUNGICIDAL PYRAZOLE MIXTURES E. I. Du Pont de Nemours and Company (US) 2014-12-10 EP disclosed
WO-2014130409-A2 FUNGICIDAL PYRAZOLE MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-08-28 WO disclosed
WO-2014066120-A1 SUBSTITUTED TOLYL FUNGICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-05-01 WO disclosed
WO-2013130962-A1 BENZOFURAN- 2 - SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-09-06 WO disclosed
WO-2013116251-A2 FUNGICIDAL PYRAZOLE MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-08-08 WO disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 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 (2 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-20210246131-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER GLS2, GLS, GLUL CXCR1 2925/4885CXCR2 4431/4885GRM7 842/4885
US-11753405-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GLUL CXCR1 2925/4885CXCR2 4431/4885GRM7 842/4885

“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.