SCHEMBL3017181

SCHEMBL3017181

O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc(Br)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
ALDH1A1 P00352 5/20 0.62
MEN1 O00255 2/20 0.62
LMNA P02545 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HTT P42858 3/20 0.61
GAA P10253 2/20 0.61
HPGD P15428 3/20 0.60
MAPT P10636 5/20 0.58
TSHR P16473 2/20 0.58
USP2 O75604 1/20 0.58
TP53 P04637 1/20 0.58
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
MAPK1 P28482 1/20 0.55

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
SCHEMBL4881954 0.92 HPGD (0.72) KMT2AALDH1A1MEN1HPGDMAPT
SCHEMBL4784539 0.81 MAPT (0.80) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4784250 0.81 MAPT (0.70) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL12846033 0.81 KMT2A (0.71) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL4732936 0.80 MAPT (0.69) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL3351099 0.79 PKM (0.48) KMT2AALDH1A1LMNASMN1; SMN2HTT
SCHEMBL14433749 0.79 HSD17B2 (0.66)
SCHEMBL21935233 0.79 HSD17B2 (0.53) KMT2AHPGDMAPTHSD17B10
SCHEMBL3021651 0.78 ALDH1A1 (0.66) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL6353681 0.78 KMT2A (0.64) KMT2AALDH1A1MEN1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053995-A1 BENZENESULFONANILIDE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-03 US claimed
WO-2008061247-A2 BENZENESULFONANILIDE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENT OF THE UNIVERSITY OF CALIFORNIA (US) 2008-05-22 WO claimed
US-9316633-B2 Methods for identifying inhibitors of solute transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-19 US disclosed
US-20110053995-A1 BENZENESULFONANILIDE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-03 US disclosed
US-20110053995-A1 BENZENESULFONANILIDE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-03 US disclosed
US-20110053995-A1 BENZENESULFONANILIDE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-03 US disclosed
US-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-29 US disclosed
WO-2008061247-A2 BENZENESULFONANILIDE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENT OF THE UNIVERSITY OF CALIFORNIA (US) 2008-05-22 WO disclosed
WO-2008061247-A2 BENZENESULFONANILIDE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENT OF THE UNIVERSITY OF CALIFORNIA (US) 2008-05-22 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-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS SLC2A1, SLC2A3, SLC2A8 KMT2A 4412/4885ALDH1A1 3404/4885MEN1 1626/4885
US-20110053995-A1 BENZENESULFONANILIDE COMPOUND INHIBITORS OF UREA TRANSPORTERS SLC14A1, SLC2A1, SLC2A4 KMT2A 4539/4885ALDH1A1 1500/4885MEN1 4473/4885

“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.