SCHEMBL785532

SCHEMBL785532

O=C(O)c1ccc2c(c1)C(NS(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
TBXA2R P21731 3/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 1/20 0.49
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
CHEK2 O96017 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
KCNA5 P22460 2/20 0.46
AKR1C3 P42330 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL803299 1.00 CYP1A2 (0.65) CYP1A2TBXA2RMEN1KMT2AALDH1A1
SCHEMBL10405757 0.90 CYP1A2 (0.65) CYP1A2TBXA2RMEN1KMT2AALDH1A1
SCHEMBL803269 0.89 CYP1A2 (0.58) CYP1A2TBXA2RMEN1KMT2AALDH1A1
SCHEMBL785324 0.89 CYP1A2 (0.58) CYP1A2TBXA2RMEN1KMT2AALDH1A1
SCHEMBL803521 0.88 CYP1A2 (0.54) CYP1A2TBXA2RMEN1KMT2AALDH1A1
SCHEMBL2817998 0.84 CYP1A2 (0.50) CYP1A2TBXA2RMEN1KMT2AALDH1A1
SCHEMBL784576 0.84 CYP1A2 (0.50) CYP1A2TBXA2RMEN1KMT2AALDH1A1
SCHEMBL484854 0.84 CYP1A2 (0.50) CYP1A2TBXA2RMEN1KMT2AALDH1A1
SCHEMBL2817671 0.84 CYP1A2 (0.50) CYP1A2TBXA2RMEN1KMT2AALDH1A1
SCHEMBL2818105 0.83 CYP1A2 (0.48) CYP1A2TBXA2RMEN1KMT2AALDH1A1

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CYP1A2 1988/4885TBXA2R 8/4885MEN1 2563/4885

“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.