SCHEMBL6760102

SCHEMBL6760102

CCC[C@H](NC(=O)C(S)CCN1C(=O)N(C)C(C)(C)C1=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 19/20 0.81
MMP1 P03956 16/20 0.81
MMP2 P08253 13/20 0.81
MMP9 P14780 9/20 0.81
MMP7 P09237 5/20 0.81
MMP13 P45452 4/20 0.81
MMP14 P50281 1/20 0.81
MMP8 P22894 1/20 0.51
ADAM17 P78536 1/20 0.46

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
SCHEMBL6554365 0.91 MMP2 (0.67) MMP3MMP1MMP2MMP9MMP7
Rebimastat SCHEMBL2379355 0.89 MMP1 (1.00) MMP3MMP1MMP2MMP9MMP7
Rebimastat SCHEMBL12247619 0.89 MMP1 (1.00) MMP3MMP1MMP2MMP9MMP7
Rebimastat SCHEMBL4826862 0.89 MMP1 (1.00) MMP3MMP1MMP2MMP9MMP7
Rebimastat SCHEMBL645121 0.89 MMP1 (1.00) MMP3MMP1MMP2MMP9MMP7
Rebimastat SCHEMBL12946005 0.89 MMP1 (1.00) MMP3MMP1MMP2MMP9MMP7
SCHEMBL7604548 0.88 MMP3 (0.63) MMP3MMP1MMP2MMP9MMP7
Rebimastat SCHEMBL12247626 0.86 MMP1 (0.90) MMP3MMP1MMP2MMP9MMP7
Rebimastat SCHEMBL12247617 0.83 MMP1 (0.88) MMP3MMP1MMP2MMP9MMP7
SCHEMBL12300383 0.82 MMP1 (0.83) MMP3MMP1MMP2MMP9MMP7

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-20040208924-A1 Pharmaceutical tablet having a high api content BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US claimed
EP-0859784-B1 THIO-SUBSTITUTED PEPTIDES AS INHIBITORS FOR METALLOPROTEINASES AND TNF LIBERATION DARWIN DISCOVERY LTD (GB) 2002-12-18 EP claimed
US-20040208924-A1 Pharmaceutical tablet having a high api content BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US disclosed
US-20040175419-A1 Control of compactibility through cystallization BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US disclosed
US-5981490-A ADMINISTERING A PEPTIDYL COMPOUND FOR TREATMENT IN A HUMAN OR ANIMAL OF A CONDITION ASSOCIATED WITH MATRIX METALIOPROTEINASES OR THAT IS MEDIATED BY TUMOR NECROSIS FACTOR ALPHA OR L-SELECTIN SHEDDASE DARWIN DISCOVERY, LTD. (GB) 1999-11-09 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 (2 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-20040175419-A1 Control of compactibility through cystallization PKD1, PKD2, CALU MMP3 2755/4885MMP1 564/4885MMP2 1871/4885
US-20040208924-A1 Pharmaceutical tablet having a high api content TREH, SI, CYP3A5 MMP3 3203/4885MMP1 3708/4885MMP2 3385/4885

“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.