SCHEMBL10276029

SCHEMBL10276029

CS(=O)(=O)N1CCN([C@](O)(CNC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C(N)=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.61
MAOB P27338 2/20 0.47
PARP10 Q53GL7 1/20 0.47
CHRM4 P08173 1/20 0.46
POLB P06746 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
KMT2A Q03164 2/20 0.42
NR4A2 P43354 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL10276692 0.89 ADAM17 (0.61) ADAM17LMNAALDH1A1
SCHEMBL1504840 0.85 ADAM17 (0.61) ADAM17MAOBPARP10CHRM4POLB
SCHEMBL12077306 0.84 ADAM17 (0.64) ADAM17MAOBPARP10CHRM4HDAC1
SCHEMBL10276524 0.83 ADAM17 (0.55) ADAM17POLBKMT2ALMNAALDH1A1
SCHEMBL10277104 0.82 ADAM17 (0.59) ADAM17PARP10ALDH1A1
SCHEMBL10276816 0.81 ADAM17 (0.51) ADAM17PARP10KMT2AMEN1
SCHEMBL1504573 0.81 ADAM17 (0.60) ADAM17ALDH1A1
SCHEMBL10276521 0.79 ADAM17 (0.64) ADAM17
SCHEMBL10276279 0.79 ADAM17 (0.65) ADAM17ALDH1A1
SCHEMBL1504934 0.78 ADAM17 (0.63) ADAM17MAOBSLC6A5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 6/4885MAOB 257/4885PARP10 1622/4885

“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.