SCHEMBL661882

SCHEMBL661882

COC(=O)c1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
LMNA P02545 4/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 4/20 0.58
RAB9A P51151 3/20 0.58
HPGD P15428 2/20 0.58
NPC1 O15118 1/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL25733667 0.94 MEN1 (0.54) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL8693590 0.91 CA1 (0.54) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL7143564 0.89 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL669133 0.89 PTPN11 (0.49) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL7955826 0.87 CA1 (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL15145793 0.86 L3MBTL1 (0.55) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL10850707 0.85 CA1 (0.50) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL10845806 0.85 POLB (0.53) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL14679376 0.85 POLB (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23099730 0.85 HDAC3 (0.47) MEN1KMT2ALMNAMAPTALDH1A1

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
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 WO disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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 (3 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD MEN1 228/4885KMT2A 1997/4885LMNA 2107/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 MEN1 505/4885KMT2A 1633/4885LMNA 2140/4885
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 MEN1 1998/4885KMT2A 1667/4885LMNA 2845/4885

“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.