SCHEMBL4041537

SCHEMBL4041537

CC(C)(C)c1ccc(S(=O)(=O)N2CCNC(C(=O)O)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HSD11B1 P28845 11/20 0.52
GAA P10253 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
EPHX2 P34913 1/20 0.46
MAOA P21397 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL6267145 0.79 SMN1; SMN2 (0.60) LMNAALDH1A1KMT2A
SCHEMBL12125914 0.76 NOTUM (0.44) LMNAALDH1A1HSD11B1TP53
SCHEMBL27780939 0.76 ALDH1A1 (0.50) LMNAALDH1A1KMT2APOLB
SCHEMBL732932 0.75 LMNA (0.71) LMNAALDH1A1HSD11B1GAAMEN1
SCHEMBL7436813 0.75 AKR1C3 (0.50) ALDH1A1
SCHEMBL1385963 0.74 KMT2A (0.43) LMNAALDH1A1GAAKMT2APOLB
SCHEMBL26673580 0.73 ALDH1A1 (0.49) LMNAALDH1A1MEN1KMT2A
SCHEMBL13036468 0.73 HSD11B1 (0.75) LMNAALDH1A1HSD11B1GAAMEN1
SCHEMBL12169351 0.73 HSD11B1 (0.75) LMNAALDH1A1HSD11B1GAAMEN1
SCHEMBL24782290 0.73 KMT2A (0.57) LMNAALDH1A1GAAMEN1KMT2A

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-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R LMNA 976/4885ALDH1A1 610/4885HSD11B1 3490/4885

“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.