Sugi Predict

Sugi Predict / Compounds / SCHEMBL1153947

SCHEMBL1153947

SCHEMBL1153947

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 2/20 0.37
▸ ITGB1 P05556 2/20 0.37
▸ ITGA4 P13612 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ANPEP P15144 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
SCHEMBL1153687 0.95 ITGB1 (0.40) CTRB1NPC1RAB9AATMITGB1
SCHEMBL1152965 0.95 ITGB1 (0.38) CTRB1NPC1RAB9AATMITGB1
SCHEMBL1153851 0.93 MMP1 (0.42) CTRB1NPC1RAB9AITGB1ITGA4
SCHEMBL1152803 0.88 CTRB1 (0.41) CTRB1NPC1RAB9AATMMMP1
SCHEMBL1153189 0.86 ANPEP (0.40) NPC1RAB9AMMP1ALDH1A1ANPEP
SCHEMBL1153797 0.85 MME (0.40) CTRB1NPC1RAB9AATMMMP1
SCHEMBL1153904 0.84 CTRB1 (0.43) CTRB1NPC1RAB9AATMMMP1
SCHEMBL1153232 0.83 KDM4E (0.44) CTRB1NPC1RAB9AATMITGB1
SCHEMBL1153212 0.83 MME (0.40) CTRB1NPC1RAB9AATMITGB1
SCHEMBL1153392 0.83 MME (0.42) CTRB1NPC1RAB9AATMITGB1

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 CTRB1 1068/4885NPC1 3293/4885RAB9A 1533/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 CTRB1 1068/4885NPC1 3293/4885RAB9A 1533/4885

“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.