SCHEMBL1153538

SCHEMBL1153538

C[C@H](CO)NC(=O)C1(C(=O)N[C@H](C)CO)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.38
LTA4H P09960 1/20 0.32
EPHX1 P07099 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KCNK3 O14649 1/20 0.30
THRB P10828 1/20 0.30
CNR2 P34972 1/20 0.30
BLM P54132 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1153712 0.98 MME (0.39) MMELTA4HALDH1A1KCNK3THRB
SCHEMBL1152846 0.94 MME (0.35) MMEALDH1A1KCNK3THRBCNR2
SCHEMBL1153446 0.90 MME (0.33) MMEALDH1A1KCNK3THRBCNR2
SCHEMBL1153744 0.81 MME (0.36) MMELTA4HCNR2
SCHEMBL1152942 0.79 MME (0.37) MMELTA4HCNR2
SCHEMBL3541461 0.79 FPR3 (0.37) MMERXFP1ALDH1A1CNR2
SCHEMBL1152945 0.79 FPR3 (0.37) MMERXFP1ALDH1A1CNR2
SCHEMBL1153196 0.77 CYP3A4 (0.33) MMECNR2
SCHEMBL16086203 0.77 ALDH1A1 (0.38) MMEALDH1A1THRB
SCHEMBL1153869 0.77 FPR3 (0.38) MMEALDH1A1CNR2

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 4743/4885LTA4H 617/4885EPHX1 888/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 MME 4743/4885LTA4H 617/4885EPHX1 888/4885

“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.