SCHEMBL4344867

SCHEMBL4344867

CCC(O)(CC)[C@H](NC(=O)C(C)(C)C(=O)N[C@H](c1ccccc1)C(O)(CC)CC)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.50
OPRK1 P41145 3/20 0.44
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL4344310 0.89 RIPK1 (0.43) RIPK1OPRK1CYP1A2CYP3A4CYP2D6
SCHEMBL4344350 0.86 OPRK1 (0.48) RIPK1OPRK1CYP1A2CYP3A4CYP2D6
SCHEMBL4338097 0.85 MAPK1 (0.45) RIPK1OPRK1LMNACNR1CNR2
SCHEMBL4339737 0.85 RIPK1 (0.46) RIPK1OPRK1CYP1A2CYP3A4CYP2D6
SCHEMBL15270025 0.85 RIPK1 (0.46) RIPK1OPRK1CYP1A2CYP3A4CYP2D6
SCHEMBL4344455 0.84 MMP9 (0.43) RIPK1CYP1A2CYP2D6TSHRMEN1
SCHEMBL4332823 0.83 LMNA (0.46) RIPK1OPRK1CYP1A2CYP3A4CYP2D6
SCHEMBL4337659 0.81 CNR1 (0.43) RIPK1OPRK1MEN1KMT2ALMNA
SCHEMBL15289227 0.80 MAPT (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL808745 0.79 ALDH1A1 (0.43) OPRK1CYP2C9MEN1KMT2ALMNA

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 RIPK1 1943/4885OPRK1 856/4885CYP1A2 791/4885

“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.