SCHEMBL1504843

SCHEMBL1504843

CCCS(=O)(=O)N1CCN([C@@H](CNC(=O)c2ccc(O)cc2)C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.48
SLC6A9 P48067 6/20 0.48
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADAM10 O14672 2/20 0.44
MMP3 P08254 2/20 0.44
MMP1 P03956 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
ADAM9 Q13443 1/20 0.43

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
SCHEMBL10476069 1.00 ADAM17 (0.48) ADAM17SLC6A9ALDH1A1LMNATSHR
SCHEMBL10276416 0.86 ADAM17 (0.62) ADAM17LMNASMN1; SMN2ADAM10MMP3
SCHEMBL10276407 0.86 ADAM17 (0.62) ADAM17LMNASMN1; SMN2ADAM10MMP3
SCHEMBL10276198 0.84 ADAM17 (0.54) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL10276201 0.84 ADAM17 (0.54) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL10275947 0.83 ADAM17 (0.49) ADAM17LMNAADAM10MMP3MMP1
SCHEMBL1504817 0.80 ALDH1A1 (0.44) SLC6A9ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL10276547 0.79 ADAM17 (0.74) ADAM17ADAM10MMP3MMP1ADAM9
SCHEMBL10475831 0.79 ADAM17 (0.51) ADAM17LMNAADAM10MMP3MMP1
SCHEMBL10475888 0.79 ADAM17 (0.51) ADAM17LMNAADAM10MMP3MMP1

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 6/4885SLC6A9 4850/4885ALDH1A1 591/4885

“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.