SCHEMBL14562467

SCHEMBL14562467

CCS(=O)(=O)Cc1c(OC)noc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 4/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
AR P10275 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL5425511 0.84 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL5425505 0.83 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL14378250 0.78 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL18083203 0.77 APOBEC3A (0.36) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL6609431 0.72 GRIA1 (0.33) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL17000229 0.69 GRIA1 (0.41) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL4366969 0.69 GRIA1 (0.35) ALDH1A1GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL6613519 0.68 GRIA1 (0.34) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL14426993 0.67 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL4373865 0.64

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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CYP1A2 3406/4885CYP3A4 1988/4885CYP2C9 2217/4885

“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.