Sugi Predict

Sugi Predict / Compounds / SCHEMBL1153797

SCHEMBL1153797

SCHEMBL1153797

CCCC(O)(CCC)[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)N[C@H](Cc2ccccc2)C(O)(CCC)CCC)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.40
▸ CTRB1 P17538 4/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TRPA1 O75762 2/20 0.39
▸ ATM Q13315 2/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ PRSS1 P07477 1/20 0.36
▸ CTSG P08311 1/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1154094 0.95 MME (0.43) MMECTRB1NPC1RAB9APOLB
SCHEMBL1153806 0.95 MME (0.41) MMECTRB1NPC1RAB9APOLB
SCHEMBL1154053 0.94 MME (0.43) MMECTRB1NPC1RAB9APOLB
SCHEMBL1152803 0.90 CTRB1 (0.41) MMECTRB1NPC1RAB9APOLB
SCHEMBL13970260 0.86 L3MBTL1 (0.47) MMECTRB1NPC1RAB9APOLB
SCHEMBL1153947 0.85 CTRB1 (0.39) CTRB1NPC1RAB9ATRPA1ATM
SCHEMBL1153212 0.85 MME (0.40) MMECTRB1NPC1RAB9APOLB
SCHEMBL1153392 0.85 MME (0.42) MMECTRB1NPC1RAB9ATRPA1
SCHEMBL1153904 0.84 CTRB1 (0.43) MMECTRB1NPC1RAB9AATM
SCHEMBL4332917 0.84 NPC1 (0.45) CTRB1NPC1RAB9APOLBHDAC3

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 4743/4885CTRB1 1068/4885NPC1 3293/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 MME 4743/4885CTRB1 1068/4885NPC1 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.