SCHEMBL4804064

SCHEMBL4804064

O=C(O)CNC(=O)[C@H](NC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.73
▸ CTSS P25774 2/20 0.73
▸ ATM Q13315 1/20 0.60
▸ MME P08473 1/20 0.57
▸ ECE1 P42892 1/20 0.57
▸ CASP1 P29466 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CTRB1 P17538 2/20 0.49
▸ BACE1 P56817 1/20 0.48

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
SCHEMBL8932368 1.00 CTSL (0.73) CTSLCTSSATMMMEECE1
SCHEMBL8932375 0.86 CTSS (0.69) CTSLCTSSATMCTSKCYP1A2
SCHEMBL7886229 0.85 CTSS (0.58) CTSLCTSSATMMMEECE1
SCHEMBL2943917 0.85 CTSS (0.67) CTSLCTSSATMCTSBCTSK
SCHEMBL2943915 0.85 CTSS (0.67) CTSLCTSSATMCTSBCTSK
SCHEMBL11075199 0.83 CTSL (0.67) CTSLCTSSATMCASP1ALDH1A1
SCHEMBL3255533 0.83 ATM (0.77) CTSLCTSSATMCASP1ALDH1A1
SCHEMBL1362502 0.83 ATM (0.77) CTSLCTSSATMCASP1ALDH1A1
SCHEMBL7719287 0.83 ATM (0.77) CTSLCTSSATMCASP1ALDH1A1
SCHEMBL434233 0.83 ATM (0.77) CTSLCTSSATMCASP1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470678-B2 Diphenylazetidinone derivatives for treating disorders of the lipid metabolism ASTRAZENECA AB (SE) 2008-12-30 — — US disclosed
US-20050239766-A1 Diphenylazetidinone derivatives for treating disorders of the lipid metabolism ASTRAZENECA AB (SE) 2005-10-27 — — US 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-20050239766-A1 Diphenylazetidinone derivatives for treating disorders of the lipid metabolism CYP46A1, CYP27A1, CYP7A1 CTSL 2060/4885CTSS 2276/4885ATM 4471/4885

“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.

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