SCHEMBL7051417

SCHEMBL7051417

O=[PH2]C(CSc1ccccc1O)C(CCCc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NLRP1 Q9C000 1/20 0.38
GRIK1 P39086 1/20 0.38
ACHE P22303 1/20 0.36
SGMS1 Q86VZ5 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
BID P55957 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
BAK1 Q16611 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PTGES O14684 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
SCHEMBL7049814 0.93 ALDH1A1 (0.38) ALDH1A1NPC1MAPTHPGDTSHR
SCHEMBL7050272 0.85 SLC1A3 (0.43) TSHRNPSR1HSD17B10PPARGPPARA
SCHEMBL7052123 0.80 USP2 (0.37) ALDH1A1HPGDHSD17B10GRIK1PPARG
SCHEMBL7052059 0.79 FCER2 (0.35)
SCHEMBL7046960 0.74 ALDH1A1 (0.38) ALDH1A1NPC1HPGDHSD17B10SMN1; SMN2
SCHEMBL7047039 0.74 KMT2A (0.39) MAPTNPSR1PPARGPTGESALOX5
SCHEMBL7047065 0.73 USP2 (0.39) ALDH1A1MAPTHPGDHSD17B10SMN1; SMN2
SCHEMBL28014450 0.72 GRIK1 (0.57) NPC1MAPTGRIK1PPARGPPARA
SCHEMBL9067046 0.72 SMN1; SMN2 (0.41) ALDH1A1MAPTHPGDHSD17B10PPARG
SCHEMBL3252245 0.67 GRIK1 (0.51) ALDH1A1MAPTHPGDTSHRHTT

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-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
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 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 ALDH1A1 465/4885NPC1 927/4885MAPT 2771/4885

“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.