SCHEMBL1153795

SCHEMBL1153795

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KCNA5 P22460 1/20 0.38
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CTSL P07711 2/20 0.33
KCNN4 O15554 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAN2A1 Q16706 1/20 0.33
MAN1B1 Q9UKM7 1/20 0.33
OPRK1 P41145 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TTR P02766 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
SCHEMBL1152859 0.94 ALDH1A1 (0.41) ALDH1A1KCNA5CYP2D6CYP2C19HSD17B10
SCHEMBL1154104 0.94 ALDH1A1 (0.41) ALDH1A1KCNA5CYP2D6CYP2C19HSD17B10
SCHEMBL1153485 0.93 ALDH1A1 (0.40) ALDH1A1KCNA5CYP2D6CYP2C19HSD17B10
SCHEMBL1152998 0.87 HPGD (0.34) ALDH1A1CYP2D6CYP2C19CYP1A2MEN1
SCHEMBL1153961 0.85 ALDH1A1 (0.41) ALDH1A1KCNA5CYP2D6CYP2C19HSD17B10
SCHEMBL1153733 0.83 PLK1 (0.39) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL1152604 0.82 ALDH1A1 (0.37) ALDH1A1KCNA5CYP2D6CYP2C19HSD17B10
SCHEMBL1153385 0.82 KEAP1 (0.34) ALDH1A1CYP2C19MEN1KMT2ACYP3A4
SCHEMBL1153128 0.82 CASP1 (0.35) ALDH1A1CYP2D6CYP2C19CYP1A2MEN1
SCHEMBL4345728 0.81 ALDH1A1 (0.42) ALDH1A1KCNA5CYP2D6CYP2C19HSD17B10

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 ALDH1A1 610/4885KCNA5 2187/4885CYP2D6 60/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ALDH1A1 610/4885KCNA5 2187/4885CYP2D6 60/4885

“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.