SCHEMBL3010549

SCHEMBL3010549

Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Br)cc3)c(SCC(N)=O)o2)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.81
TSHR P16473 1/20 0.81
HTT P42858 1/20 0.81
MAPT P10636 11/20 0.67
TP53 P04637 9/20 0.66
MEN1 O00255 1/20 0.66
USP2 O75604 1/20 0.66
PPARG P37231 1/20 0.66
KMT2A Q03164 1/20 0.66
NCOA2 Q15596 1/20 0.66
NCOA1 Q15788 1/20 0.66
HSD17B10 Q99714 1/20 0.66
POLB P06746 4/20 0.61
RXFP1 Q9HBX9 2/20 0.57

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
SCHEMBL3025966 0.95 ALDH1A1 (0.90) ALDH1A1TSHRHTTMAPTTP53
SCHEMBL3017234 0.90 ALDH1A1 (1.00) ALDH1A1TSHRHTTMAPTTP53
SCHEMBL3022076 0.90 ALDH1A1 (0.81) ALDH1A1TSHRHTTMAPTTP53
SCHEMBL3017289 0.89 ALDH1A1 (0.81) ALDH1A1TSHRHTTMAPTTP53
SCHEMBL3031178 0.89 MAPT (0.79) ALDH1A1TSHRHTTMAPTTP53
SCHEMBL3010248 0.89 ALDH1A1 (0.81) ALDH1A1TSHRHTTMAPTTP53
SCHEMBL3026755 0.84 ALDH1A1 (0.90) ALDH1A1TSHRHTTMAPTTP53
SCHEMBL3028204 0.81 MAPT (0.77) ALDH1A1TSHRHTTMAPTTP53
SCHEMBL3029715 0.80 MAPT (1.00) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL3026090 0.80 MAPT (0.81) ALDH1A1TSHRHTTMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394788-B2 Phenylsulfoxyoxazole compound inhibitors of urea transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US claimed
US-20100305105-A1 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US claimed
WO-2008061248-A2 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS 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-8394788-B2 Phenylsulfoxyoxazole compound inhibitors of urea transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
US-8394788-B2 Phenylsulfoxyoxazole compound inhibitors of urea transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-12 US disclosed
US-20100305105-A1 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US disclosed
US-20100305105-A1 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 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-2008061248-A2 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-05-22 WO disclosed
WO-2008061248-A2 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS THE REGENTS 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 ALDH1A1 3404/4885TSHR 2501/4885HTT 1349/4885
US-20100305105-A1 PHENYLSULFOXYOXAZOLE COMPOUND INHIBITORS OF UREA TRANSPORTERS SLC14A1, SLCO4C1, SLCO2B1 ALDH1A1 2350/4885TSHR 3521/4885HTT 1635/4885

“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.