SCHEMBL15780644

SCHEMBL15780644

Cc1ccccc1N(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.53
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RORC P51449 6/20 0.49
NR1H2 P55055 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 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
SCHEMBL15771952 0.83 RORC (0.70) CA9ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15782089 0.83 RORC (0.52) RORCESR1PSEN1PSEN2APH1B
SCHEMBL15780648 0.83 RORC (0.55) CYP2C9CYP2C19RORCESR1PSEN1
SCHEMBL15782088 0.81 RORC (0.70) RORCNR1H2MCL1
SCHEMBL7452453 0.80 ALDH1A1 (0.47) CA9ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17174225 0.78 C5AR1 (0.57) CA9ALDH1A1CYP3A4NPSR1CA12
SCHEMBL15366970 0.72 RORC (0.60) ALDH1A1NPSR1RORCPSEN1PSEN2
SCHEMBL3472321 0.71 APEX1 (0.59) ALDH1A1CYP3A4ESR1LMNA
SCHEMBL17852223 0.71 RORC (0.43) RORCESR1MCL1
SCHEMBL12706860 0.70 RORC (0.50) ALDH1A1RORCNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382222-B2 Benzyl sulfonamide derivatives as RORc modulators GENENTECH, INC. (US) 2016-07-05 US disclosed
US-20140163024-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2014-06-12 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-20140163024-A1 BENZYL SULFONAMIDE DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB CA9 1233/4885ALDH1A1 1145/4885CYP1A2 505/4885

“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.