SCHEMBL2489047

SCHEMBL2489047

C[C@](NC(=O)OCc1ccccc1)(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP1 P29466 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PLAU P00749 1/20 0.44
CTSS P25774 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SYK P43405 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
MGLL Q99685 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
SCHEMBL7453154 1.00 MEN1 (0.47) MEN1KMT2ACASP1SMN1; SMN2PLAU
SCHEMBL3004207 0.83 ALDH1A1 (0.48) MEN1KMT2ACTSSNPC1RAB9A
SCHEMBL6375660 0.83 ALDH1A1 (0.48) MEN1KMT2ACTSSNPC1RAB9A
SCHEMBL1748476 0.83 ALDH1A1 (0.48) MEN1KMT2ACTSSNPC1RAB9A
SCHEMBL8889711 0.83 MEN1 (0.50) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL27536278 0.82 MEN1 (0.48) MEN1KMT2ACASP1SMN1; SMN2PLAU
SCHEMBL3537093 0.80 EPHX2 (0.45) KMT2A
SCHEMBL28668556 0.80 EPHX2 (0.45) KMT2A
SCHEMBL28546281 0.79 KDM4E (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6154376 0.79 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CTSSNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP claimed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO claimed
EP-2014291-B1 Piperazinone compounds as anti-tumor and anti-cancer agents UNIV YALE (US) 2011-10-26 EP disclosed
US-7763620-B2 Piperazinone compounds as anti-tumor and anti-cancer agents and methods of treatment YALE UNIVERSITY (US) 2010-07-27 US disclosed
EP-1427418-B1 PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS UNIV YALE (US) 2009-11-11 EP disclosed
EP-2014291-A2 Piperazinone compounds as anti-tumor and anti-cancer agents and methods of treatment YALE UNIVERSITY (US) 2009-01-14 EP disclosed
US-20080221123-A1 Piperazinone Compounds as Anti-Tumor and Anti-Cancer Agents and Methods of Treatment YALE UNIVERSITY 2008-09-11 US disclosed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 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-20080221123-A1 Piperazinone Compounds as Anti-Tumor and Anti-Cancer Agents and Methods of Treatment EP300, HDAC5, VHL MEN1 2749/4885KMT2A 1903/4885CASP1 567/4885

“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.