SCHEMBL3979180

SCHEMBL3979180

CCc1cc(CC)c(OC)c(C(=O)O)c1NS(=O)(=O)c1cn(C)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.42
NLRP3 Q96P20 1/20 0.40
METAP2 P50579 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP17A1 P05093 1/20 0.39
TRIM24 O15164 6/20 0.38
NRP1 O14786 1/20 0.35
S1PR1 P21453 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL3982779 0.84 METAP2 (0.58) TDP1LMNAMETAP2KDM4ETRIM24
SCHEMBL3979185 0.84 KMT2A (0.42) LMNAMETAP2KDM4E
SCHEMBL3981242 0.78 TDP1 (0.54) TDP1LMNAMETAP2KDM4ECYP17A1
SCHEMBL3979202 0.76 METAP2 (0.58) METAP2CYP17A1
SCHEMBL3982442 0.75 METAP2 (0.56) TDP1METAP2
SCHEMBL3987489 0.72 METAP2 (0.71) METAP2KDM4E
SCHEMBL3978404 0.70 METAP2 (0.48) LMNAMETAP2KDM4E
SCHEMBL3987189 0.68 METAP2 (0.59) LMNAMETAP2KDM4E
SCHEMBL6213526 0.66 KDM4E (0.40) LMNAMETAP2KDM4ETRIM24
SCHEMBL13359253 0.65 LMNA (0.49) TDP1LMNANLRP3KDM4ECYP17A1

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-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
EP-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 EP disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 US disclosed
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP TDP1 3481/4885LMNA 4741/4885NLRP3 4337/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP TDP1 3481/4885LMNA 4741/4885NLRP3 4337/4885

“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.