SCHEMBL1287927

SCHEMBL1287927

CCCC(C(N)=O)S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 12/20 0.39
CA2 P00918 12/20 0.39
CA7 P43166 4/20 0.38
CA14 Q9ULX7 4/20 0.38
CA12 O43570 1/20 0.38
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34

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
SCHEMBL9491700 0.82 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27399020 0.82 HDAC1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5540 0.82 CA1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL25390760 0.81 CA1 (0.37) CA1CA2CA7CA14
Hydrochloric Acid SCHEMBL3354866 0.80 CA1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL22291625 0.78 CA1 (0.40) HDAC1HDAC2CA1CA2CA7
SCHEMBL4031640 0.77 HDAC7 (0.52) CA1CA2CA7CA14CA12
SCHEMBL5583108 0.75 CA1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15972914 0.74 MMP1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14166660 0.72 CA2 (0.49) CA1CA2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310384-A1 Sulfonamide-Containing Compounds THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-11-21 US disclosed
WO-2012047926-A2 SULFONAMIDE-CONTAINING COMPOUNDS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-04-12 WO disclosed
US-5001175-A Epoxy-sulfonamide compounds and compositions ESTRON CHEMICAL, INC. (US) 1991-03-19 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 (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-20130310384-A1 Sulfonamide-Containing Compounds BACE1, BACE2, GSAP CHRM1 4695/4885AKR1A1 4386/4885CHRM3 3918/4885

“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.