SCHEMBL1557539

SCHEMBL1557539

COC(=O)c1cc(Br)ccc1S(=O)(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
NR4A2 P43354 1/20 0.47
CDK1 P06493 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.43
SLC6A3 Q01959 1/20 0.42
CA2 P00918 3/20 0.42
CA1 P00915 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
GLA P06280 1/20 0.40
CHEK1 O14757 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL17078010 0.87 NR4A2 (0.47) L3MBTL1NR4A2CDK1ALDH1A1GAA
SCHEMBL424814 0.85 L3MBTL1 (0.48) L3MBTL1NR4A2CDK1ALDH1A1GAA
SCHEMBL30546511 0.85 L3MBTL1 (0.48) L3MBTL1NR4A2CDK1ALDH1A1GAA
SCHEMBL19202355 0.84 CA2 (0.61) L3MBTL1NR4A2CDK1ALDH1A1GAA
SCHEMBL22827685 0.83 MAPT (0.46) L3MBTL1NR4A2CDK1ALDH1A1GAA
SCHEMBL17078006 0.82 TRPV4 (0.56) NR4A2CDK1ALDH1A1SLC6A3CA2
SCHEMBL20529369 0.82 CDK1 (0.48) L3MBTL1NR4A2CDK1ALDH1A1GAA
SCHEMBL9324149 0.82 KDM4E (0.53) L3MBTL1CDK1ALDH1A1GAAHSD17B10
SCHEMBL22827956 0.81 CDK1 (0.47) CDK1ALDH1A1SLC6A3CA2CA1
SCHEMBL1816360 0.81 KDM4E (0.54) L3MBTL1NR4A2CDK1GAAHSD17B10

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
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 EP disclosed
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
WO-2020254697-A1 FUSED 1,2 THIAZOLES AND 1,2 THIAZINES WHICH ACT AS NL3P3 MODULATORS AC IMMUNE SA (CH) 2020-12-24 WO disclosed
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 US disclosed
EP-3606921-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. Inventiva (FR) 2020-02-12 EP disclosed
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 CN disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
WO-2018185266-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2018-10-11 WO disclosed
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 US disclosed
CN-102066368-A 1,2-benzisothiazole compounds useful for combating animal pests BASF SE 2011-05-18 CN disclosed
EP-2303874-A2 SULFONAMIDE COMPOUNDS BASF SE (DE) 2011-04-06 EP disclosed
WO-2009153285-A2 SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-12-23 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 (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-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 L3MBTL1 65/4885NR4A2 226/4885CDK1 1506/4885
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 L3MBTL1 946/4885NR4A2 3536/4885CDK1 272/4885

“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.