SCHEMBL7604680

SCHEMBL7604680

CC(C)(C)[C@H](NC(=O)[C@H](CC(=O)O)c1ccsc1)C(=O)Nc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.55
MMP3 P08254 7/20 0.55
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR2 O15552 1/20 0.37
HSPA5 P11021 1/20 0.36

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
SCHEMBL7604668 1.00 MMP2 (0.55) MMP2MMP3LMNAHTTSMN1; SMN2
SCHEMBL7694340 1.00 MMP2 (0.55) MMP2MMP3LMNAHTTSMN1; SMN2
SCHEMBL7607652 0.89 MMP2 (0.46) MMP2MMP3LMNAHTTSMN1; SMN2
SCHEMBL7607661 0.89 MMP2 (0.46) MMP2MMP3LMNAHTTSMN1; SMN2
SCHEMBL7607675 0.79 LMNA (0.38) MMP2MMP3LMNAHTTSMN1; SMN2
SCHEMBL7758593 0.75 MMP2 (0.69) MMP2MMP3
SCHEMBL7450119 0.71 MMP2 (0.52) MMP2MMP3LMNAHTTSMN1; SMN2
SCHEMBL7450126 0.71 MMP2 (0.52) MMP2MMP3LMNAHTTSMN1; SMN2
SCHEMBL7605447 0.70 MMP3 (0.56) MMP2MMP3HTTSMN1; SMN2
SCHEMBL7764954 0.70 MMP3 (0.56) MMP2MMP3HTTSMN1; SMN2

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
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
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

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 MMP2 2/4885MMP3 3/4885LMNA 1232/4885

“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.