SCHEMBL1154099

SCHEMBL1154099

C[C@@H](NC(=O)C1(C(=O)N[C@H](C)C(O)(Cc2ccccc2)Cc2ccccc2)CCC1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.36
MMP1 P03956 2/20 0.36
LMNA P02545 1/20 0.36
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 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
SCHEMBL1153786 0.97 ALDH1A1 (0.41) ALDH1A1CYP2D6NPC1RAB9AHPGD
SCHEMBL1152563 0.96 ALDH1A1 (0.41) ALDH1A1CYP2D6NPC1RAB9AHPGD
SCHEMBL1152959 0.94 ALDH1A1 (0.40) ALDH1A1CYP2D6NPC1RAB9ALMNA
SCHEMBL1153581 0.87 ALDH1A1 (0.40) ALDH1A1CYP2D6NPC1RAB9AHPGD
SCHEMBL1153781 0.86 PSEN1 (0.40) ALDH1A1CYP2D6NPC1RAB9AMMP1
SCHEMBL1154162 0.84 ALDH1A1 (0.40) ALDH1A1CYP2D6NPC1RAB9AHPGD
SCHEMBL1153431 0.84 ALDH1A1 (0.38) ALDH1A1CYP2D6NPC1RAB9AMMP1
SCHEMBL1153610 0.83 MMP1 (0.42) ALDH1A1CYP2D6NPC1RAB9AMMP1
SCHEMBL1154101 0.83 ALDH1A1 (0.39) ALDH1A1CYP2D6NPC1RAB9AHPGD
SCHEMBL1153607 0.83 CNR2 (0.36) ALDH1A1CYP2D6HPGDMMP1LMNA

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 ALDH1A1 610/4885CYP2D6 60/4885NPC1 3293/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ALDH1A1 610/4885CYP2D6 60/4885NPC1 3293/4885

“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.