SCHEMBL6283786

SCHEMBL6283786

O=S(=O)(NCc1ccccc1)c1cc[c]cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.76
CA12 O43570 4/20 0.65
CA9 Q16790 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
ATM Q13315 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 4/20 0.59
CA2 P00918 3/20 0.58
CA1 P00915 2/20 0.58
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CA7 P43166 2/20 0.55
CA14 Q9ULX7 2/20 0.55
SLC12A2 P55011 1/20 0.54
SLC12A5 Q9H2X9 1/20 0.54
PRMT1 Q99873 1/20 0.54
CYP19A1 P11511 1/20 0.51

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
SCHEMBL4573383 0.93 KEAP1 (0.76) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL407414 0.87 KEAP1 (1.00) KEAP1CA12CA9CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3516799 0.85 KEAP1 (0.96) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL18109243 0.83 KEAP1 (0.71) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL12550095 0.80 KEAP1 (0.79) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL27426675 0.80 KEAP1 (0.66) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL27545286 0.80 KEAP1 (0.61) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL5143984 0.79 KEAP1 (0.76) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL198318 0.79 CA12 (1.00) KEAP1CA12CA9CYP1A2CYP3A4
SCHEMBL12793673 0.79 KEAP1 (0.76) KEAP1CA12CA9CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949567-B2 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2005-09-27 US disclosed
EP-1395548-A1 DERIVATIVES OF DIPHENYLUREA, DIPHENYLOXALIC ACID DIAMIDE AND DIPHENYLSULFURIC ACID DIAMIDE AND THEIR USE AS MEDICAMENTS 4SC AG (DE) 2004-03-10 EP disclosed
US-20030119876-A1 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2003-06-26 US disclosed
US-20020165236-A1 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2002-11-07 US disclosed
WO-2002070467-A1 DERIVATIVES OF DIPHENYLUREA, DIPHENYLOXALIC ACID DIAMIDE AND DIPHENYLSULFURIC ACID DIAMIDE AND THEIR USE AS MEDICAMENTS 4SC AG (DE) 2002-09-12 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-20020165236-A1 Compounds for the treatment of protozoal diseases PKD2, PPOX, PKD1 KEAP1 1374/4885CA12 3822/4885CA9 3193/4885
US-20030119876-A1 Compounds for the treatment of protozoal diseases CLIC1, PKD2, PKD1 KEAP1 518/4885CA12 574/4885CA9 405/4885

“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.