SCHEMBL10275887

SCHEMBL10275887

COCCOCOc1ccc(C(=O)NCC(C(=O)O)N2CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.44
OPRD1 P41143 2/20 0.43
TP53 P04637 1/20 0.43
ADAM10 O14672 3/20 0.42
MMP1 P03956 1/20 0.42
CTNNB1 P35222 1/20 0.41
MMP3 P08254 2/20 0.41
ADAM9 Q13443 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41

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
SCHEMBL10275880 1.00 ADAM17 (0.44) ADAM17OPRD1TP53ADAM10MMP1
SCHEMBL1504730 0.92 ADAM17 (0.44) ADAM17OPRD1TP53ADAM10CTNNB1
SCHEMBL10475842 0.90 ADAM17 (0.55) ADAM17TP53ADAM10MMP1MMP3
SCHEMBL10475882 0.90 ADAM17 (0.55) ADAM17TP53ADAM10MMP1MMP3
SCHEMBL10475894 0.88 ADAM17 (0.53) ADAM17TP53CTNNB1ALDH1A1
SCHEMBL10475892 0.88 ADAM17 (0.53) ADAM17TP53CTNNB1ALDH1A1
SCHEMBL10276770 0.85 ADAM17 (0.62) ADAM17ADAM10MMP1MMP3ADAM9
SCHEMBL10276145 0.85 ADAM17 (0.62) ADAM17ADAM10MMP1MMP3ADAM9
SCHEMBL10276327 0.84 ADAM17 (0.57) ADAM17ALDH1A1
SCHEMBL10275940 0.84 ADAM17 (0.55) ADAM17TP53ADAM10MMP1MMP3

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-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

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 6/4885OPRD1 3950/4885TP53 637/4885

“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.