SCHEMBL4337970

SCHEMBL4337970

CC(C)(C)[C@H](CO)NC(=O)C(=O)N[C@@H](CO)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.35
TGFBR1 P36897 3/20 0.33
MMP1 P03956 2/20 0.33
RIPK1 Q13546 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
PAK4 O96013 1/20 0.30
TNF P01375 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL4332752 1.00 CNR2 (0.35) CNR2TGFBR1MMP1RIPK1MME
SCHEMBL4344892 0.83 CNR2 (0.34) CNR2MMP1
SCHEMBL13365141 0.83 MAPT (0.35) CNR2TGFBR1MMP1CYP2C9CYP2C19
SCHEMBL14350669 0.83 MAPT (0.35) CNR2TGFBR1MMP1CYP2C9CYP2C19
SCHEMBL4338681 0.83 CNR2 (0.34) CNR2MMP1
SCHEMBL23855055 0.83 TGFBR1 (0.36) CNR2TGFBR1MMP1RIPK1MME
SCHEMBL394954 0.83 TGFBR1 (0.36) CNR2TGFBR1MMP1RIPK1MME
SCHEMBL5668399 0.83 MAPT (0.35) CNR2TGFBR1MMP1CYP2C9CYP2C19
SCHEMBL21789730 0.81 ASAH1 (0.37) CNR2MMP1RIPK1CYP3A4CYP2C9
SCHEMBL23612990 0.81 ASAH1 (0.37) CNR2MMP1RIPK1CYP3A4CYP2C9

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 CNR2 855/4885TGFBR1 3608/4885MMP1 4407/4885

“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.