SCHEMBL13530900

SCHEMBL13530900

CCCc1ccc(-c2ccc(C(=O)N3CC[C@H](N=[N+]=[N-])[C@H]3C(=O)NO)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MMP8 P22894 3/20 0.40
SPHK1 Q9NYA1 9/20 0.39
SPHK2 Q9NRA0 3/20 0.38
FFAR2 O15552 1/20 0.37

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
SCHEMBL2693120 0.83 MMP8 (0.41) MMP13MMP2MMP9MMP8SPHK1
SCHEMBL2693072 0.82 MMP13 (0.45) MMP13MMP2MMP9MMP8SPHK1
SCHEMBL2693748 0.81 MMP8 (0.42) MMP13MMP2MMP9MMP8SPHK1
SCHEMBL2693629 0.81 MMP8 (0.42) MMP13MMP2MMP9MMP8SPHK1
SCHEMBL2693118 0.80 MMP2 (0.39) MMP13MMP2MMP9MMP8SPHK1
SCHEMBL2691529 0.80 MMP2 (0.41) MMP13MMP2MMP9MMP8SPHK1
SCHEMBL2693770 0.80 MMP2 (0.41) MMP13MMP2MMP9MMP8SPHK1
SCHEMBL2693630 0.79 MMP13 (0.39) MMP13MMP2MMP9MMP8SPHK1
SCHEMBL2691533 0.74 MMP13 (0.56) MMP13MMP2MMP9MMP8SPHK1
SCHEMBL202818 0.73 MMP13 (0.43) MMP13MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
US-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
US-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. 2010-01-28 US disclosed
US-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. 2010-01-28 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-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY NAAA, HDHD5, HACL2 MMP13 1654/4885MMP2 1855/4885MMP9 1667/4885

“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.