SCHEMBL7050113

SCHEMBL7050113

CCOC(=O)C(CC(C)C)CP(=O)(CSc1ccc2ccccc2c1)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
CAPN1 P07384 1/20 0.43
CTSB P07858 1/20 0.43
CASP1 P29466 2/20 0.38
CASP3 P42574 2/20 0.38
CASP7 P55210 2/20 0.38
CASP6 P55212 2/20 0.38
CASP8 Q14790 2/20 0.38
GAA P10253 3/20 0.37
ANPEP P15144 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
DHODH Q02127 1/20 0.35
MAPT P10636 3/20 0.35

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
SCHEMBL7049694 0.89 HSD17B10 (0.50) HSD17B10NPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7050333 0.88 PPARG (0.39) CAPN1CTSBGAAANPEPEPHX1
SCHEMBL7049822 0.87 PPARG (0.43) HSD17B10GAAANPEPEPHX2NPC1
SCHEMBL7049135 0.85 SMN1; SMN2 (0.37) HSD17B10GAAANPEPEPHX2NPC1
SCHEMBL7050180 0.83 HSD17B10 (0.43) HSD17B10CASP1CASP3CASP7CASP6
SCHEMBL7051089 0.83 SIRT5 (0.38) HSD17B10GAAEPHX2KDM4ECYP3A4
SCHEMBL7049709 0.82 PRNP (0.52) HSD17B10KDM4ENPC1ALDH1A1MAPT
SCHEMBL7051282 0.82 MAPT (0.41) GAAEPHX1ALDH1A1MAPT
SCHEMBL7052860 0.77 EPHX2 (0.46) HSD17B10EPHX2NPC1ALDH1A1MEN1
SCHEMBL7052148 0.77 POLB (0.45) HSD17B10EPHX2NPC1ALDH1A1MAPT

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 11 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-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO 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 HSD17B10 426/4885CAPN1 125/4885CTSB 147/4885

“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.