SCHEMBL657164

SCHEMBL657164

CCC(Oc1ccc(SCC=C(I)c2ccc(-c3ccccc3)cc2)cc1C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.49
PPARG P37231 9/20 0.49
PPARD Q03181 12/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL657163 1.00 PPARA (0.49) PPARAPPARGPPARDSMN1; SMN2MRGPRX4
SCHEMBL3031946 0.89 PPARD (0.54) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL3031949 0.89 PPARD (0.54) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL3027851 0.87 PPARD (0.47) PPARAPPARD
SCHEMBL3027855 0.87 PPARD (0.47) PPARAPPARD
SCHEMBL3027857 0.87 PPARD (0.47) PPARAPPARD
SCHEMBL3030250 0.83 PPARA (0.45) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL3030246 0.83 PPARA (0.45) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL655681 0.83 PPARA (0.44) PPARAPPARGPPARDSMN1; SMN2
SCHEMBL3034484 0.82 PPARA (0.43) PPARAPPARGPPARDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2012-02-23 US disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 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 (2 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885PPARD 2/4885
US-20120046350-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885PPARD 2/4885

“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.