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Sugi Predict / Compounds / SCHEMBL1152846

SCHEMBL1152846

SCHEMBL1152846

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.31
▸ PSEN1 P49768 2/20 0.31
▸ PSEN2 P49810 2/20 0.31
▸ APH1B Q8WW43 2/20 0.31
▸ NCSTN Q92542 2/20 0.31
▸ APH1A Q96BI3 2/20 0.31
▸ PSENEN Q9NZ42 2/20 0.31
▸ KCNK3 O14649 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 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 0.96 MME (0.39) MMEALDH1A1KCNK3THRBCNR2
SCHEMBL1153538 0.94 MME (0.38) MMEALDH1A1KCNK3THRBCNR2
SCHEMBL1153446 0.92 MME (0.33) MMEALDH1A1KCNK3THRBCNR2
SCHEMBL1153826 0.81 MME (0.33) MMEPSEN1PSEN2APH1BNCSTN
SCHEMBL1153044 0.78 FPR3 (0.38) MMEALDH1A1PSEN1PSEN2APH1B
SCHEMBL1152942 0.77 MME (0.37) MMECNR2CYP3A4CYP2C9CYP2C19
SCHEMBL5384134 0.76 CYP3A4 (0.37) MMEALDH1A1KCNK3THRBCNR2
SCHEMBL1153744 0.76 MME (0.36) MMECNR2CYP3A4CYP2C9CYP2C19
SCHEMBL1154088 0.76 CYP3A4 (0.34) CNR2CYP3A4CYP2C9CYP2C19
SCHEMBL16086421 0.76 ALDH1A1 (0.41) MMEALDH1A1THRBCYP2C9CYP2C19

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 4743/4885ALDH1A1 610/4885PSEN1 2926/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 MME 4743/4885ALDH1A1 610/4885PSEN1 2926/4885

“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.