SCHEMBL1503512

SCHEMBL1503512

CC#CCOc1ccc(C(=O)OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
RAB9A P51151 3/20 0.57
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ADAM17 P78536 11/20 0.50
MMP1 P03956 7/20 0.50
MMP9 P14780 7/20 0.50
MMP13 P45452 7/20 0.50
MMP2 P08253 2/20 0.50
MMP14 P50281 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MMP7 P09237 1/20 0.48
MMP8 P22894 1/20 0.48

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
SCHEMBL13337491 0.89 MAPT (0.58) MAPTRAB9ACA1CA2NPC1
SCHEMBL12216996 0.89 MAPT (0.58) MAPTRAB9ACA1CA2NPC1
SCHEMBL29723230 0.87 MAPT (0.64) MAPTRAB9ACA1CA2NPC1
SCHEMBL23425517 0.84 ADAM17 (0.50) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL13337500 0.84 MAPT (0.60) MAPTRAB9ACA1CA2NPC1
SCHEMBL19543263 0.84 LMNA (0.56) MAPTCA1CA2MEN1KMT2A
SCHEMBL17039268 0.83 L3MBTL1 (0.59) MAPTRAB9AADAM17MMP1MMP9
SCHEMBL8727410 0.83 MAPT (0.68) MAPTRAB9ACA1CA2NPC1
SCHEMBL1503527 0.83 PKM (0.53) RAB9ACA1CA2NPC1SMN1; SMN2
SCHEMBL13337423 0.83 MAPT (0.58) MAPTRAB9ACA1CA2NPC1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178346-A2 DEVICES AND METHODS FOR RAPID BIOSENSING NEW YORK UNIVERSITY (US) 2023-09-21 WO disclosed
WO-2023178345-A2 BIOFUNCTIONALIZED ELECTRONICS NEW YORK UNIVERSITY (US) 2023-09-21 WO disclosed
US-9266848-B2 4-alkoxy-N-(2-hydroxycarbamoyl-2-piperidinyl-ethyl)-benzamide compounds as selective TACE-inhibitors for the treatment of inflammatory diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-02-23 US disclosed
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-2477969-B1 4-ALKOXY-N-(2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL)-BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES. GALDERMA RES & DEV (FR) 2013-10-23 EP 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
US-8372885-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-02-12 US disclosed
US-20120226033-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-09-06 US 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
EP-2477969-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES 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-2011033010-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO 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
US-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-05-13 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 (3 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-20120226033-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES TPSAB1, CTSB, TPSB2 MAPT 3168/4885RAB9A 1894/4885CA1 2229/4885
US-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 MAPT 1444/4885RAB9A 4474/4885CA1 2516/4885
US-20120178934-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS CTSB, TPSAB1, PIGS MAPT 3645/4885RAB9A 882/4885CA1 1769/4885

“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.