SCHEMBL1154053

SCHEMBL1154053

CCCC(O)(CCC)[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)N[C@H](Cc2ccccc2)C(O)(CCC)CCC)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.43
MMP1 P03956 2/20 0.42
ITGB1 P05556 5/20 0.39
ITGA4 P13612 5/20 0.39
CTRB1 P17538 1/20 0.38
TRPA1 O75762 3/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL1154094 0.99 MME (0.43) MMEMMP1ITGB1ITGA4CTRB1
SCHEMBL1153806 0.96 MME (0.41) MMEMMP1ITGB1ITGA4CTRB1
SCHEMBL1153797 0.94 MME (0.40) MMEMMP1CTRB1TRPA1POLB
SCHEMBL1153703 0.90 MMP1 (0.44) MMEMMP1ITGB1ITGA4CTRB1
SCHEMBL1153392 0.89 MME (0.42) MMEMMP1ITGB1ITGA4CTRB1
SCHEMBL1153851 0.86 MMP1 (0.42) MMEMMP1ITGB1ITGA4CTRB1
SCHEMBL1153212 0.86 MME (0.40) MMEMMP1ITGB1ITGA4CTRB1
SCHEMBL1154214 0.85 MMP1 (0.46) MMEMMP1ITGB1ITGA4CTRB1
SCHEMBL1153687 0.85 ITGB1 (0.40) MMEMMP1ITGB1ITGA4CTRB1
SCHEMBL1152803 0.84 CTRB1 (0.41) MMEMMP1CTRB1POLBNPC1

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 MME 4743/4885MMP1 3864/4885ITGB1 1506/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 MME 4743/4885MMP1 3864/4885ITGB1 1506/4885

“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.