SCHEMBL10277048

SCHEMBL10277048

CC#CCON(CC(C(=O)O)(C(=O)O)N1CCN(S(C)(=O)=O)CC1)C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.41
GAA P10253 1/20 0.37
ADAM10 O14672 1/20 0.36
MMP3 P08254 1/20 0.36
ADAM9 Q13443 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP2 P08253 2/20 0.34
MMP14 P50281 2/20 0.34
MMP13 P45452 3/20 0.34
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL995892 0.82 ADAM17 (0.36) ADAM17GAAADAM10MMP3ADAM9
SCHEMBL997543 0.73 ADAM17 (0.53) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL10276954 0.70 ADAM17 (0.61) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL995165 0.69 ADAM17 (0.36) ADAM17ALDH1A1KMT2AMMP2MMP14
SCHEMBL995893 0.68 ADAM17 (0.61) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL14245113 0.64 ADAM17 (0.52) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504787 0.64 ADAM17 (0.82) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504797 0.64 ADAM17 (0.60) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504838 0.64 ADAM17 (0.60) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL995717 0.62 ADAM17 (0.59) 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 3 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
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 6/4885GAA 4/4885ADAM10 20/4885

“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.