SCHEMBL6434232

SCHEMBL6434232

CC(C)(C)C1(C(=O)O)CCCN(C(=O)OCc2ccccc2)N1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2C P28335 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PREP P48147 1/20 0.40

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
Hydrochloric Acid SCHEMBL17459607 0.83
SCHEMBL18307654 0.76
SCHEMBL16612115 0.75 KMT2A (0.58) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL30429792 0.74 HTR2C (0.44) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL4924522 0.74 MEN1 (0.48) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL420503 0.74 CTSK (0.51) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL7350039 0.74 MEN1 (0.48) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL1508854 0.73 HTR2C (0.52) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL28524807 0.73 MEN1 (0.48) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL19487131 0.73

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-1280780-B1 ASYMMETRIC SYNTHESIS OF PIPERAZIC ACID AND DERIVATIVES THEREOF VERTEX PHARMA (US) 2005-11-30 EP disclosed
US-6632942-B2 3S)-piperazic acid is derived from D-glutamic acid through an (R)-2,5-dihydroxyvalerate ester intermediate. After the hydroxy groups are converted to suitable leaving groups, such as mesylates, the ester is treated with a bis-protected VERTEX PHARMACEUTICALS INCORPORATED 2003-10-14 US disclosed
US-20030176691-A1 Asymmetric synthesis of piperazic acid and derivatives thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-09-18 US disclosed
EP-1280780-A2 ASYMMETRIC SYNTHESIS OF PIPERAZIC ACID AND DERIVATIVES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-05 EP disclosed
WO-2001083458-A2 ASYMMETRIC SYNTHESIS OF PIPERAZIC ACID AND DERIVATIVES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-11-08 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-20030176691-A1 Asymmetric synthesis of piperazic acid and derivatives thereof CASP5, CASP2, CASP3 MEN1 3989/4885KMT2A 1261/4885NPSR1 3122/4885

“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.