SCHEMBL4032653

SCHEMBL4032653

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCc3ccncc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 3/20 0.49
GLA P06280 1/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 3/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL4033204 0.88 GAA (0.50) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL1382163 0.88 GAA (0.50) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL1381140 0.88 GAA (0.50) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL4032519 0.87 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL4035166 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAHTTGLA
SCHEMBL1382418 0.87 SMN1; SMN2 (0.49) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL4033037 0.87 SMN1; SMN2 (0.49) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL4035900 0.87 SMN1; SMN2 (0.49) ALDH1A1HPGDSMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL1381183 0.86 SMN1; SMN2 (0.49) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL4034764 0.85 TSHR (0.61) MAPK1ALDH1A1SMN1; SMN2LMNAHTT

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 8 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 claimed
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
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP disclosed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO 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 MAPK1 3742/4885ALDH1A1 610/4885HPGD 745/4885

“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.