SCHEMBL1152928

SCHEMBL1152928

O=C(N[C@H](c1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1)C1(C(=O)N[C@H](c2ccccc2)C(O)(Cc2ccccc2)Cc2ccccc2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.37
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ADRB2 P07550 2/20 0.36
HTT P42858 1/20 0.36
CTSL P07711 1/20 0.35
CNR2 P34972 1/20 0.35
OPRK1 P41145 1/20 0.35
CYP2D6 P10635 1/20 0.35
MME P08473 4/20 0.35
HDAC4 P56524 1/20 0.35
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1153726 0.99 CNR2 (0.36) MMP1ITGB1ITGA4ALDH1A1ADRB2
SCHEMBL1153607 0.96 CNR2 (0.36) MMP1ALDH1A1HTTCTSLCNR2
SCHEMBL1153211 0.93 CNR2 (0.38) ALDH1A1HTTCTSLCNR2OPRK1
SCHEMBL1153028 0.87 MME (0.41) MMP1OPRK1CYP2D6MMEHDAC4
SCHEMBL1153772 0.85 MME (0.42) HTTOPRK1CYP2D6MMEHDAC4
SCHEMBL1153114 0.84 MME (0.41) MMP1OPRK1MMEHDAC4KMT2A
SCHEMBL808748 0.83 LMNA (0.39) ITGB1ITGA4ALDH1A1HTTKMT2A
SCHEMBL1152563 0.83 ALDH1A1 (0.41) MMP1ITGB1ITGA4ALDH1A1ADRB2
SCHEMBL1153646 0.83 MME (0.39) ALDH1A1HTTOPRK1CYP2D6MME
SCHEMBL809298 0.82 LMNA (0.40) ITGB1ITGA4ALDH1A1HTTKMT2A

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 3864/4885ITGB1 1506/4885ITGA4 1344/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 MMP1 3864/4885ITGB1 1506/4885ITGA4 1344/4885

“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.