SCHEMBL1153610

SCHEMBL1153610

CC(C)C[C@@H](NC(=O)C1(C(=O)N[C@H](CC(C)C)C(O)(Cc2ccccc2)Cc2ccccc2)CCCC1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
ANPEP P15144 1/20 0.39
CTSL P07711 2/20 0.38
PSMB8 P28062 1/20 0.38
PSMB5 P28074 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
MME P08473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL1153966 0.99 MMP1 (0.41) MMP1MMP2MMP3ALDH1A1CYP2D6
SCHEMBL1153781 0.97 PSEN1 (0.40) MMP1MMP2MMP3ALDH1A1CYP2D6
SCHEMBL1153189 0.95 ANPEP (0.40) MMP1MMP2MMP3ALDH1A1CYP2D6
SCHEMBL1153687 0.87 ITGB1 (0.40) MMP1MMP2MMP3ALDH1A1CYP2D6
SCHEMBL1153851 0.86 MMP1 (0.42) MMP1MMP2MMP3MMENPC1
SCHEMBL1153786 0.86 ALDH1A1 (0.41) MMP1MMP2MMP3ALDH1A1CYP2D6
SCHEMBL1152563 0.85 ALDH1A1 (0.41) MMP1MMP2MMP3ALDH1A1CYP2D6
SCHEMBL1152965 0.85 ITGB1 (0.38) MMP1ALDH1A1CYP2D6MMENPC1
SCHEMBL1154162 0.84 ALDH1A1 (0.40) MMP1MMP2MMP3ALDH1A1CYP2D6
SCHEMBL1154099 0.83 ALDH1A1 (0.41) MMP1MMP2MMP3ALDH1A1CYP2D6

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 MMP1 3864/4885MMP2 2580/4885MMP3 3791/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 MMP1 3864/4885MMP2 2580/4885MMP3 3791/4885

“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.