SCHEMBL1153374

SCHEMBL1153374

O=C(N[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1)C1(C(=O)N[C@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
KCNA5 P22460 1/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PTBP1 P26599 1/20 0.33
HPGD P15428 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL1154265 0.94 LMNA (0.37) LMNAKCNA5CNR1CNR2HTT
SCHEMBL1154227 0.94 LMNA (0.37) LMNAKCNA5CNR1CNR2HTT
SCHEMBL1152964 0.93 HDAC4 (0.37) LMNAKCNA5CNR1CNR2HTT
SCHEMBL1152478 0.90 LMNA (0.45) LMNACNR1CNR2HTTALDH1A1
SCHEMBL1154050 0.87 ALDH1A1 (0.43) CNR2HTTALDH1A1
SCHEMBL1154175 0.85 LMNA (0.43) LMNAALDH1A1
SCHEMBL1153204 0.85 LMNA (0.43) LMNACNR1CNR2ALDH1A1HPGD
SCHEMBL1153891 0.84 LMNA (0.42) LMNAALDH1A1
SCHEMBL1152381 0.83 MAPK1 (0.44) LMNAHTTOPRK1
SCHEMBL1153400 0.82 ALDH1A1 (0.41) CNR2HTTALDH1A1

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
US-7943799-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
US-7842839-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
EP-1698617-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENE BISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF 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 (2 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-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof CYP3A7, GRK7, CYP2A7 LMNA 1389/4885KCNA5 2187/4885CNR1 268/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 LMNA 1389/4885KCNA5 2187/4885CNR1 268/4885

“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.