SCHEMBL1504725

SCHEMBL1504725

Cc1cc(COc2ccc(C(=O)NC[C@H](C(=O)O)N3CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2n1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 0.88
MMP1 P03956 5/20 0.88
MMP3 P08254 4/20 0.88
ADAM10 O14672 2/20 0.88
MMP2 P08253 2/20 0.66
MMP12 P39900 1/20 0.66
MMP13 P45452 1/20 0.57

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
SCHEMBL10276027 1.00 ADAM17 (0.88) ADAM17MMP1MMP3ADAM10MMP2
SCHEMBL1504702 0.94 ADAM17 (0.84) ADAM17MMP1MMP3ADAM10MMP2
SCHEMBL1503993 0.94 ADAM17 (1.00) ADAM17MMP1MMP3ADAM10
SCHEMBL1504692 0.94 ADAM17 (1.00) ADAM17MMP1MMP3ADAM10
Hydrochloric Acid SCHEMBL1504544 0.93 ADAM17 (0.98) ADAM17MMP1MMP3ADAM10
SCHEMBL1504858 0.92 ADAM17 (0.88) ADAM17MMP1MMP3ADAM10MMP2
SCHEMBL1504862 0.92 ADAM17 (0.88) ADAM17MMP1MMP3ADAM10MMP2
SCHEMBL10276547 0.91 ADAM17 (0.74) ADAM17MMP1MMP3ADAM10MMP2
SCHEMBL10276269 0.91 ADAM17 (0.94) ADAM17MMP1MMP3ADAM10
SCHEMBL15327442 0.91 ADAM17 (0.94) ADAM17MMP1MMP3ADAM10

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-9115102-B2 N-[2-hydroxycarbamoyl-2-(piperazinyl) ethyl] benzamide compounds, their preparation and their use as TACE inhibitors GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-08-25 US disclosed
EP-2477968-B1 N-[2-HYDROXYCARBAMOYL-2-(PIPERAZINYL)ETHYL]BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RES & DEV (FR) 2013-10-23 EP disclosed
EP-2477968-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL]BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS Galderma Research & Development (FR) 2012-07-25 EP disclosed
US-20120178934-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-07-12 US disclosed
WO-2011033009-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 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-20120178934-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS CTSB, TPSAB1, PIGS ADAM17 6/4885MMP1 143/4885MMP3 265/4885

“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.