SCHEMBL1504754

SCHEMBL1504754

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.49
MMP13 P45452 7/20 0.49
MMP1 P03956 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MMP2 P08253 1/20 0.44
MMP14 P50281 1/20 0.44
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADAM10 O14672 1/20 0.42
MMP3 P08254 1/20 0.42
ADAM9 Q13443 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL10276479 0.92 ADAM17 (0.50) ADAM17MMP13MMP1SMN1; SMN2LMNA
SCHEMBL14245210 0.84 ADAM17 (0.56) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL1504838 0.83 ADAM17 (0.60) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL995753 0.76 ADAM17 (0.57) ADAM17MMP13MMP1LMNAMMP2
SCHEMBL10276954 0.75 ADAM17 (0.61) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL6597347 0.74 ADAM17 (0.63) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL10276123 0.72 MEN1 (0.42) ADAM17MMP13MMP1MEN1KMT2A
SCHEMBL1504530 0.70 ADAM17 (0.60) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL1504797 0.70 ADAM17 (0.60) ADAM17MMP13MMP1MMP2MMP14
SCHEMBL20601406 0.70 ADAM17 (0.51) ADAM17MMP13MMP1MMP2MMP14

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 6/4885MMP13 103/4885MMP1 143/4885

“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.