SCHEMBL7410328

SCHEMBL7410328

CC(C)(C)OC(=O)C[C@H](C(=O)O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CTSK P43235 2/20 0.38
CTSS P25774 1/20 0.38
CYP2C19 P33261 1/20 0.37
GSTO1 P78417 1/20 0.37
ALOX5 P09917 1/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KEAP1 Q14145 1/20 0.36
REN P00797 1/20 0.35
MAPT P10636 1/20 0.35
GBA1 P04062 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 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
SCHEMBL7407275 1.00 POLB (0.40) POLBCTSKCTSSCYP2C19GSTO1
SCHEMBL7605352 0.86 POLB (0.39) POLBCTSKCTSSCYP2C19ALOX5
SCHEMBL27274197 0.86 CTSK (0.37) CTSKCTSSALOX5RAB9AALDH1A1
SCHEMBL2859016 0.82 CES2 (0.41) CTSKCTSSALOX5RAB9AALDH1A1
SCHEMBL2859019 0.82 CES2 (0.41) CTSKCTSSALOX5RAB9AALDH1A1
SCHEMBL2863369 0.82 CES2 (0.41) CTSKCTSSALOX5RAB9AALDH1A1
SCHEMBL30688429 0.78 POLB (0.49) POLBCYP2C19ALOX5RAB9AALDH1A1
SCHEMBL1915123 0.77 SMN1; SMN2 (0.47) POLBCTSKCTSSCYP2C19ALDH1A1
SCHEMBL1915216 0.77 SMN1; SMN2 (0.47) POLBCTSKCTSSCYP2C19ALDH1A1
SCHEMBL1915127 0.77 SMN1; SMN2 (0.47) POLBCTSKCTSSCYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 POLB 2433/4885CTSK 64/4885CTSS 54/4885

“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.