SCHEMBL7052059

SCHEMBL7052059

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 4/20 0.35
MMP1 P03956 4/20 0.34
MME P08473 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ACE P12821 1/20 0.33
P4HB P07237 1/20 0.33
BACE1 P56817 1/20 0.33
LTA4H P09960 1/20 0.33
ANPEP P15144 1/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
ADAM17 P78536 1/20 0.32

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
SCHEMBL7050272 0.83 SLC1A3 (0.43) ACEBACE1
SCHEMBL7049814 0.81 ALDH1A1 (0.38) MME
SCHEMBL7051417 0.79 ALDH1A1 (0.38)
SCHEMBL7051271 0.79 USP2 (0.40)
SCHEMBL7046960 0.77 ALDH1A1 (0.38) MMEACELTA4H
SCHEMBL20067971 0.72 P4HB (0.46) MMP9P4HBBACE1
SCHEMBL11855729 0.67 P4HB (0.45) MMP9P4HBBACE1
SCHEMBL6068906 0.65 P4HB (0.43) MMP9P4HBBACE1
SCHEMBL6068909 0.65 P4HB (0.43) MMP9P4HBBACE1
SCHEMBL78524 0.65 TSHR (0.46) MMP9P4HBBACE1

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 6 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
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 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 FCER2 4711/4885MMP1 2/4885MME 81/4885

“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.