SCHEMBL1152940

SCHEMBL1152940

CC(C)C[C@@H](NC(=O)C1(C(=O)N[C@H](CC(C)C)C(O)(c2ccccc2)c2ccccc2)CCCCC1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.39
ALDH1A1 P00352 3/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
CETP P11597 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MME P08473 1/20 0.35
DUT P33316 1/20 0.35
HDAC4 P56524 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1153629 0.99 CTSL (0.40) CTSLALDH1A1PSEN1PSEN2APH1B
SCHEMBL1152498 0.96 PSEN1 (0.41) CTSLALDH1A1PSEN1PSEN2APH1B
SCHEMBL1153439 0.93 CTSL (0.41) CTSLALDH1A1PSEN1PSEN2APH1B
SCHEMBL1152996 0.89 ANPEP (0.38) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1153589 0.87 ANPEP (0.39) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1153206 0.85 ANPEP (0.41) ALDH1A1MMP1MMP3
SCHEMBL1153492 0.85 MMP1 (0.42) MMP1MMELMNA
SCHEMBL1153012 0.85 ANPEP (0.39) CTSLALDH1A1PSEN1PSEN2APH1B
SCHEMBL1154111 0.84 ANPEP (0.42) CTSLALDH1A1MMP1MMP3HSD17B10
SCHEMBL1154107 0.84 ALDH1A1 (0.42) ALDH1A1MMP1CETPCYP2D6CYP2C19

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 CTSL 65/4885ALDH1A1 610/4885PSEN1 2926/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 CTSL 65/4885ALDH1A1 610/4885PSEN1 2926/4885

“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.