SCHEMBL13661981

SCHEMBL13661981

CB(O)N1C[C@@H](OS(C)(=O)=O)C[C@@H]1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PLIN1 O60240 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PLIN5 Q00G26 1/20 0.33
▸ ABHD5 Q8WTS1 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ADRB2 P07550 1/20 0.32

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
SCHEMBL13661980 0.82 CYP1A2 (0.38) ALDH1A1MAPTHPGDKDM4ECYP2C9
SCHEMBL4303297 0.81 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ECYP2C9CYP2C19
SCHEMBL13661909 0.80 CYP1A2 (0.34) ALDH1A1MAPTHPGDKDM4ECYP2C9
SCHEMBL13661908 0.79 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKDM4ECYP2C9
SCHEMBL13661938 0.77 SCN3A (0.34) ALDH1A1TDP1ADRB1
SCHEMBL7807928 0.77 BRD4 (0.39) —
SCHEMBL3952747 0.77 BRD4 (0.39) —
SCHEMBL13661907 0.75 MMP2 (0.37) ALDH1A1MAPTKDM4ECYP2C9CYP2C19
SCHEMBL7811591 0.74 NPSR1 (0.45) ALDH1A1KDM4ETDP1ADRB2ADRB1
SCHEMBL13661982 0.73 CYP1A2 (0.33) ALDH1A1MAPTHPGDKDM4ECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 — — 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF ALDH1A1 2060/4885MAPT 3036/4885HPGD 3107/4885

“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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