SCHEMBL3971060

SCHEMBL3971060

CC(NS(=O)(=O)c1cc[c]cc1)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CA12 O43570 2/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 2/20 0.35
ADAMTS4 O75173 2/20 0.35
CA7 P43166 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP2 P08253 6/20 0.33
MMP3 P08254 5/20 0.33
MMP9 P14780 5/20 0.33
MMP13 P45452 5/20 0.33
MMP1 P03956 4/20 0.33
MMP7 P09237 4/20 0.33
CA14 Q9ULX7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3974092 0.81 SMN1; SMN2 (0.41) SMN1; SMN2CA2CA9ALDH1A1CA12
SCHEMBL1570351 0.81 NPSR1 (0.47) SMN1; SMN2CA2CA9ALDH1A1CA12
SCHEMBL3970900 0.78 SMN1; SMN2 (0.37) SMN1; SMN2CA2CA9ALDH1A1CA12
SCHEMBL7050294 0.78 ADAMTS4 (0.40) SMN1; SMN2CA2CA9ALDH1A1CA12
SCHEMBL8908871 0.73 KDM4E (0.36) SMN1; SMN2CA2CA9ALDH1A1CA12
SCHEMBL28001091 0.71 GAA (0.45) SMN1; SMN2CA2CA9ALDH1A1CA12
SCHEMBL28001099 0.70 SMN1; SMN2 (0.50) SMN1; SMN2CA2CA9ALDH1A1CA12
SCHEMBL6291990 0.70 GAA (0.40) SMN1; SMN2ALDH1A1MMP3NPSR1
SCHEMBL167548 0.70 SMN1; SMN2 (0.58) SMN1; SMN2CA2CA9ALDH1A1CA12
SCHEMBL2104884 0.69 ALDH1A1 (0.62) CA2CA9ALDH1A1CA12TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 US claimed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP claimed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO claimed
US-7495040-B2 Actinic ray curable composition, image forming method using the same and ink-jet recording apparatus using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-02-24 US disclosed
US-20080012918-A1 Actinic Radiation Curable Ink-Jet Ink, And Image Forming Method And Ink-Jet Recording Apparatus Using The Same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-01-17 US disclosed
US-20050196697-A1 Actinic ray curable composition, image forming method using the same and ink-jet recording apparatus using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-09-08 US disclosed
US-20050165123-A1 Actinic ray curable composition, image forming method using the same and ink-jet recording apparatus using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-07-28 US disclosed
US-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 US disclosed
US-6579890-B1 Matrix metalloprotease inhibitors SYNTEX (U.S.A.) INC. 2003-06-17 US disclosed
US-6037472-A FOR TREATING DISEASE-STATES CHARACTERIZED BY EXCESSIVE ACTIVITY OF MATRIX METALLOPROTEASES SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, ABERRANT ANGIOGENESIS, TUMOR INVASION AND METASTASIS SYNTEX (U.S.A.) INC. (US) 2000-03-14 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-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 SMN1; SMN2 305/4885CA2 1603/4885CA9 701/4885

“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.