SCHEMBL5117533

SCHEMBL5117533

CCOC(=O)c1ccc(CCCSC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
CYP4A11 Q02928 3/20 0.46
CYP4F2 P78329 2/20 0.46
HPGD P15428 3/20 0.46
RECQL P46063 1/20 0.46
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45

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
SCHEMBL5117726 0.91 LMNA (0.56) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL7608248 0.85 CYP4A11 (0.64) CYP1A2CYP3A4CA1CA2CA12
SCHEMBL8302756 0.81 LMNA (0.59) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL570747 0.81 ESR1 (0.59) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL12199135 0.81 CA1 (0.68) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL4128844 0.80 CA12 (0.54) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL570964 0.80 RARB (0.58) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL10610630 0.80 CA12 (0.58) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL3049924 0.80 CYP4A11 (0.70) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL1893005 0.79 CYP4A11 (0.63) CYP1A2CYP3A4CA1CA2CA12

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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA LMNA 3355/4885CYP1A2 262/4885CYP3A4 878/4885

“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.