Sugi Predict

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SCHEMBL8202103

SCHEMBL8202103

COC(=O)c1ccc(N2C(=O)C3(CCN(C(=O)c4ccc5c(c4)OCCCO5)CC3)C2c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 13/20 0.45
▸ TSHR P16473 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HPGD P15428 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ GAA P10253 1/20 0.39

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
SCHEMBL8202475 0.89 ALDH1A1 (0.47) CACNA1HTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL14263426 0.89 CACNA1H (0.49) CACNA1HTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL8209996 0.89 ALDH1A1 (0.46) CACNA1HTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL8209593 0.88 ALDH1A1 (0.44) CACNA1HTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL12876128 0.88 MEN1 (0.45) CACNA1HTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL12876090 0.87 CACNA1H (0.48) CACNA1HTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL12877125 0.87 ALDH1A1 (0.44) CACNA1HTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL8202773 0.87 TRPV1 (0.47) CACNA1HTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL8209769 0.87 MEN1 (0.44) CACNA1HTSHRALDH1A1LMNASMN1; SMN2
SCHEMBL12876080 0.86 ALDH1A1 (0.54) CACNA1HTSHRALDH1A1LMNASMN1; SMN2

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-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 — — US disclosed
US-7884080-B2 Administering an azetidinone compound for treating a disorder of lipid metabolism, pain, diabetes, a vascular condition, demyelination or nonalcoholic fatty liver disease; T-type calcium channel blocking agent, an antagonist of TRPV1, an agonist of TRPV1, of GPR119, antagonist of NPCL1 SCHERING PLOUGH CORPORATION (US) 2011-02-08 — — US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 — — US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 — — US disclosed
WO-2008033464-A2 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF THE LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 — — WO 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 (1 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-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, ZDHHC20, FABP1 CACNA1H 2929/4885TSHR 4265/4885ALDH1A1 741/4885

“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.