SCHEMBL18138787

SCHEMBL18138787

COC(=O)c1cccc(-c2cccc(S(=O)(=O)Nc3cccc(NCCNC(=O)OC(C)(C)C)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.48
HCRTR2 O43614 14/20 0.48
TCF4 P15884 2/20 0.47
CTNNB1 P35222 2/20 0.47
PLAT P00750 1/20 0.47
HCRTR1 O43613 7/20 0.47
PFKFB3 Q16875 1/20 0.46
ACLY P53396 1/20 0.44

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
SCHEMBL18138850 0.92 PFKFB3 (0.57) HCRTR2HCRTR1PFKFB3
SCHEMBL18138786 0.89 HCRTR2 (0.54) HCRTR2HCRTR1
SCHEMBL18138808 0.88 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL18138783 0.88 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL2875983 0.87 ADRB2 (0.53) PLAUHCRTR2
SCHEMBL18138818 0.85 HCRTR2 (0.55) HCRTR2HCRTR1
SCHEMBL18138812 0.83 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL18300923 0.83 PLAU (0.43) PLAUHCRTR2TCF4CTNNB1PLAT
SCHEMBL18138804 0.81 HCRTR2 (0.53) HCRTR2HCRTR1
SCHEMBL18138799 0.80 HCRTR2 (0.64) HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081553-B1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIV TSUKUBA (JP) 2018-12-12 EP disclosed
US-9815787-B2 Sulfonamide derivative or pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2017-11-14 US disclosed
US-20160362376-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2016-12-15 US disclosed
EP-3081553-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2016-10-19 EP 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-20160362376-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 PLAU 2613/4885HCRTR2 1/4885TCF4 4669/4885

“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.