SCHEMBL1153544

SCHEMBL1153544

CCC(O)(CC)[C@H](NC(=O)C1(C(=O)N[C@H](c2ccccc2)C(O)(CC)CC)CC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.40
MAPK1 P28482 1/20 0.39
MME P08473 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
OPRK1 P41145 2/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.35
PTBP1 P26599 1/20 0.35
GPR88 Q9GZN0 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
SCHEMBL1153646 0.94 MME (0.39) RIPK1MAPK1MMEMEN1KMT2A
SCHEMBL1153772 0.94 MME (0.42) RIPK1MAPK1MMEMEN1KMT2A
SCHEMBL1153028 0.93 MME (0.41) RIPK1MAPK1MMEMEN1KMT2A
SCHEMBL1154017 0.90 MME (0.39) RIPK1MMEMEN1KMT2ALMNA
SCHEMBL1153211 0.86 CNR2 (0.38) KMT2ALMNACYP2D6OPRK1HTT
SCHEMBL1153402 0.85 MME (0.40) RIPK1MMEMEN1KMT2ALMNA
SCHEMBL1153426 0.85 MME (0.42) RIPK1MMEMEN1KMT2ALMNA
SCHEMBL1152381 0.85 MAPK1 (0.44) MAPK1LMNAOPRK1HTTGPR88
SCHEMBL1153114 0.84 MME (0.41) MMEKMT2AGAACYP2C19OPRK1
SCHEMBL15270025 0.81 RIPK1 (0.46) RIPK1MAPK1MEN1KMT2ALMNA

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 RIPK1 2894/4885MAPK1 2947/4885MME 4743/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 RIPK1 2894/4885MAPK1 2947/4885MME 4743/4885

“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.