SCHEMBL1504838

SCHEMBL1504838

CC#CCOc1ccc(C(=O)NCC(C(=O)OC)(C(=O)OC)N2CCN(S(C)(=O)=O)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.60
ADAM10 O14672 1/20 0.60
MMP3 P08254 1/20 0.60
ADAM9 Q13443 1/20 0.60
MMP2 P08253 1/20 0.47
MMP14 P50281 1/20 0.47
MMP13 P45452 2/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10276954 0.91 ADAM17 (0.61) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504530 0.85 ADAM17 (0.60) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504797 0.85 ADAM17 (0.60) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL14244962 0.85 ADAM17 (0.60) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504754 0.83 ADAM17 (0.49) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL14245112 0.83 ADAM17 (0.62) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL14245113 0.80 ADAM17 (0.52) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504780 0.77 ADAM17 (0.81) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504527 0.77 ADAM17 (0.81) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504573 0.77 ADAM17 (0.60) ADAM17ADAM10MMP3ADAM9MMP2

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 6/4885ADAM10 20/4885MMP3 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.