SCHEMBL6513700

SCHEMBL6513700

COC(=O)c1ccc2c(c1)S(=O)(=O)NC(=O)N2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.57
CA2 P00918 3/20 0.57
CA7 P43166 3/20 0.57
CA9 Q16790 3/20 0.57
CA4 P22748 2/20 0.57
CA1 P00915 2/20 0.54
CASP3 P42574 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
XDH P47989 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL6510729 0.85 CA12 (0.60) CA12CA2CA7CA9CA4
SCHEMBL6513474 0.78 DRD2 (0.55) SMN1; SMN2POLBKDM4ENPC1RAB9A
SCHEMBL30040559 0.73 CASP3 (0.54) CA12CA2CA7CA9CA1
SCHEMBL23535779 0.73 CASP3 (0.54) CA12CA2CA7CA9CA1
SCHEMBL2775612 0.70 GRIA2 (0.62)
SCHEMBL13485273 0.70 CASP3 (0.65) CA12CA2CA7CA9CA4
SCHEMBL8058128 0.70 KDM4E (0.52) CA12CA2CA7CA9CA1
SCHEMBL24704608 0.69 CASP3 (0.55) CA12CA2CA7CA9CA1
SCHEMBL13542710 0.69 HDAC1 (0.50) CA12CA2CA7CA9CA4
SCHEMBL22011240 0.69 KMT2A (0.47) CA12CA2CA7CA9CA1

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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
EP-1368327-B1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-10-20 EP disclosed
US-6656932-B2 Treating osteoarthritis, rheumatoid arthritis, cancer, inflammation, and heart failure WARNER-LAMBERT COMPANY 2003-12-02 US disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-24 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 (3 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 CA12 1055/4885CA2 250/4885CA7 3576/4885
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors MMP15, MMP13, MMP3 CA12 665/4885CA2 355/4885CA7 1061/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 CA12 884/4885CA2 305/4885CA7 3700/4885

“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.