SCHEMBL22980315

SCHEMBL22980315

Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2c(F)cc(C#Cc3cncc(F)c3)cc2F)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACLY P53396 1/20 0.34
PIK3CA P42336 2/20 0.33
NMT1 P30419 1/20 0.33
PIK3C3 Q8NEB9 6/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
GRM5 P41594 1/20 0.32
LMNA P02545 1/20 0.31
MAP3K20 Q9NYL2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALPL P05186 2/20 0.30
SLC40A1 Q9NP59 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
SCHEMBL29673452 1.00 THRB (0.34) THRBHPGDSMN1; SMN2ACLYPIK3CA
SCHEMBL29434779 0.92 PIK3CA (0.34) ACLYPIK3CANMT1PIK3C3CHRNB2
SCHEMBL22980259 0.92 PIK3CA (0.34) ACLYPIK3CANMT1PIK3C3CHRNB2
Trifluoroacetic Acid SCHEMBL22980528 0.92 ACLY (0.34) THRBHPGDSMN1; SMN2ACLYPIK3CA
SCHEMBL22980450 0.91 PIK3CA (0.35) SMN1; SMN2PIK3CAPIK3C3CHRNB2CHRNA4
SCHEMBL29434829 0.91 PIK3CA (0.35) SMN1; SMN2PIK3CAPIK3C3CHRNB2CHRNA4
SCHEMBL22980440 0.86 HSD11B1 (0.45) MAP3K20SLC40A1
SCHEMBL29434864 0.86 HSD11B1 (0.45) MAP3K20SLC40A1
SCHEMBL22980302 0.82 MAP3K20 (0.44) PIK3CALMNAMAP3K20MEN1KMT2A
SCHEMBL29434859 0.82 MAP3K20 (0.44) PIK3CALMNAMAP3K20MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-4013495-B1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2023-09-27 EP disclosed
EP-4013495-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. Hoffmann-La Roche AG (CH) 2022-06-22 EP disclosed
US-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
US-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
WO-2021028512-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2021-02-18 WO disclosed
WO-2021028512-A1 ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2021-02-18 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-20220169599-A1 ARYLSULFONAMIDE DERIVATIVES ARSA, SULT1E1, STS THRB 1952/4885HPGD 3901/4885SMN1; SMN2 1681/4885
US-12065399-B2 Arylsulfonamide derivatives ARSA, SULT1E1, STS THRB 1952/4885HPGD 3901/4885SMN1; SMN2 1681/4885

“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.