SCHEMBL1152872

SCHEMBL1152872

O=C(N[C@H](c1ccccc1)C1(O)CCCCC1)C1(C(=O)N[C@H](c2ccccc2)C2(O)CCCCC2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.46
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM4 P08173 1/20 0.40
HDAC4 P56524 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL1153701 1.00 MAPK1 (0.46) MAPK1CHRM2CHRM1CHRM3CHRM4
SCHEMBL1153982 0.98 MAPK1 (0.45) MAPK1CHRM2CHRM1CHRM3CHRM4
SCHEMBL1153270 0.98 MAPK1 (0.45) MAPK1CHRM2CHRM1CHRM3CHRM4
SCHEMBL1153921 0.97 MAPK1 (0.46) MAPK1CHRM2CHRM1CHRM3
SCHEMBL1153342 0.97 MAPK1 (0.46) MAPK1CHRM2CHRM1CHRM3CHRM4
SCHEMBL1154087 0.95 MAPK1 (0.46) MAPK1LMNA
SCHEMBL1153830 0.92 MAPK1 (0.46) MAPK1LMNA
SCHEMBL4337778 0.86 MAPK1 (0.48) MAPK1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4337782 0.86 MAPK1 (0.48) MAPK1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4344903 0.83 MAPK1 (0.46) MAPK1CHRM2CHRM1CHRM3CHRM4

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 MAPK1 2947/4885CHRM2 353/4885CHRM1 141/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 MAPK1 2947/4885CHRM2 353/4885CHRM1 141/4885

“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.