SCHEMBL4034634

SCHEMBL4034634

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)C(C(=O)NCc3ccco3)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
USP2 O75604 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
PKM P14618 3/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4033088 0.90 ALDH1A1 (0.68) ALDH1A1USP2SMN1; SMN2KDM4EGAA
SCHEMBL4038110 0.88 F2 (0.50) ALDH1A1USP2SMN1; SMN2GAAPKM
SCHEMBL28599524 0.79 ALDH1A1 (0.58) ALDH1A1USP2SMN1; SMN2KDM4EGAA
SCHEMBL28618856 0.78 ALDH1A1 (0.56) ALDH1A1USP2SMN1; SMN2KDM4EGAA
SCHEMBL4032519 0.77 ALDH1A1 (0.62) ALDH1A1USP2SMN1; SMN2GAAPKM
SCHEMBL4036566 0.76 ALDH1A1 (0.62) ALDH1A1USP2SMN1; SMN2KDM4EGAA
SCHEMBL3381512 0.73 HSD11B1 (0.57) ALDH1A1USP2SMN1; SMN2KDM4EGAA
SCHEMBL26673472 0.71 ALDH1A1 (0.56) ALDH1A1USP2SMN1; SMN2GAAPKM
SCHEMBL1385963 0.70 KMT2A (0.43) ALDH1A1USP2SMN1; SMN2KDM4EGAA
SCHEMBL735124 0.69 LMNA (0.66) ALDH1A1USP2SMN1; SMN2GAAPOLB

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
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
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 ALDH1A1 610/4885USP2 2122/4885SMN1; SMN2 2201/4885

“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.