SCHEMBL4345709

SCHEMBL4345709

Cc1ccc(C(O)(c2ccc(C)cc2)[C@H](NC(=O)C(C)(C)C(=O)N[C@H](c2cccc3ccccc23)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 1/20 0.40
SCN2A Q99250 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.38
KDM4A O75164 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
LTC4S Q16873 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL808743 1.00 KCNJ11 (0.40) KCNJ11SCN2ARAB9ANPC1MEN1
SCHEMBL808660 0.91 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4337174 0.91 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL808763 0.89 LMNA (0.39) KCNJ11MEN1KMT2AALDH1A1LMNA
SCHEMBL808930 0.89 KCNJ11 (0.44) KCNJ11SCN2ARAB9ANPC1MEN1
SCHEMBL4340483 0.89 KCNJ11 (0.42) KCNJ11SCN2ARAB9ANPC1MEN1
SCHEMBL4335644 0.87 KMT2A (0.47) KCNJ11RAB9ANPC1MEN1KMT2A
SCHEMBL808755 0.87 RAB9A (0.39) KCNJ11SCN2ARAB9ANPC1MEN1
SCHEMBL4338111 0.86 MEN1 (0.41) KCNJ11SCN2ARAB9ANPC1MEN1
SCHEMBL2787810 0.83 LMNA (0.40) SCN2ARAB9ANPC1MEN1KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP 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-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 KCNJ11 224/4885SCN2A 1922/4885RAB9A 1472/4885

“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.