SCHEMBL29434875

SCHEMBL29434875

O=S(=O)(Nc1c(F)cc(C#Cc2ccccc2)cc1F)c1cc(Cl)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.49
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
AR P10275 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.45
ACLY P53396 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
ALPL P05186 1/20 0.44
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
NR1H2 P55055 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43

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
SCHEMBL23010370 1.00 MCL1 (0.49) MCL1HPGDTSHRARALDH1A1
SCHEMBL22981683 0.90 ITGA1 (0.48) MAPTACLYMEN1KMT2ACPT1A
SCHEMBL29434865 0.90 ITGA1 (0.48) MAPTACLYMEN1KMT2ACPT1A
SCHEMBL23010358 0.89 L3MBTL1 (0.43) MCL1HPGDALDH1A1MAPTACLY
SCHEMBL29434833 0.89 L3MBTL1 (0.43) MCL1HPGDALDH1A1MAPTACLY
SCHEMBL22981705 0.88 SLC22A12 (0.44) MCL1ALDH1A1ACLYMEN1KMT2A
SCHEMBL29434842 0.88 SLC22A12 (0.44) MCL1ALDH1A1ACLYMEN1KMT2A
SCHEMBL23010357 0.86 KMT2A (0.52) ARALDH1A1MAPTHTTMAPK1
SCHEMBL29434802 0.86 KMT2A (0.52) ARALDH1A1MAPTHTTMAPK1
SCHEMBL22980371 0.82 ACLY (0.54) ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174266-A Arylsulfonamide derivatives as MGLUR4 negative allosteric modulators 豪夫迈·罗氏有限公司 2022-03-11 CN claimed
US-12065399-B2 Arylsulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2024-08-20 US disclosed
EP-4013495-B1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2023-09-27 EP disclosed
US-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
CN-114174266-A Arylsulfonamide derivatives as MGLUR4 negative allosteric modulators 豪夫迈·罗氏有限公司 2022-03-11 CN 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-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES ARSA, SULT1E1, STS MCL1 1086/4885HPGD 3901/4885TSHR 614/4885
US-12065399-B2 Arylsulfonamide derivatives ARSA, SULT1E1, STS MCL1 1086/4885HPGD 3901/4885TSHR 614/4885

“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.