SCHEMBL7051271

SCHEMBL7051271

CC(C)CC(C(=O)O)C(CSc1c(O)ccc2ccccc12)[PH2]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
PAK1 Q13153 1/20 0.40
KDM4E B2RXH2 6/20 0.36
GAA P10253 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
AKR1B1 P15121 2/20 0.34
SIRT1 Q96EB6 2/20 0.34
NTSR1 P30989 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 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
SCHEMBL7049051 0.85 USP2 (0.40) USP2PAK1KDM4EGAAALDH1A1
SCHEMBL7047065 0.83 USP2 (0.39) USP2PAK1KDM4EGAAALDH1A1
SCHEMBL7052123 0.82 USP2 (0.37) USP2PAK1KDM4EGAAALDH1A1
SCHEMBL7050285 0.80 ACP3 (0.38) USP2PAK1KDM4EGAAALDH1A1
SCHEMBL7052059 0.79 FCER2 (0.35)
SCHEMBL8530425 0.66 MTNR1A (0.41) ALDH1A1HPGDHSD17B10KMT2AMEN1
SCHEMBL26856124 0.63 USP2 (0.63) USP2PAK1KDM4EGAAALDH1A1
SCHEMBL7050272 0.63 SLC1A3 (0.43) NPSR1HSD17B10PKM
SCHEMBL31587632 0.63 USP2 (0.58) USP2PAK1KDM4EGAANPSR1
SCHEMBL7049814 0.61 ALDH1A1 (0.38) KDM4ENPSR1ALDH1A1HPGDHSD17B10

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 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
US-6013792-A INTERSTITIAL COLLAGENASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIOSTEOPOROSIS AGENTS SYNTEX (U.S.A.), INC. (US) 2000-01-11 US disclosed
EP-0712403-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-09-10 EP disclosed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
EP-0726903-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-07-16 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO disclosed
EP-0712403-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-05-22 EP disclosed
WO-1995004735-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-02-16 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 (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 USP2 3237/4885PAK1 1914/4885KDM4E 3133/4885

“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.