SCHEMBL3021753

SCHEMBL3021753

CCC(Oc1ccc(SC/C=C(\C#Cc2ccccc2)c2ccc(Br)cc2)cc1C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.48
PPARA Q07869 7/20 0.43
PPARG P37231 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
STAT6 P42226 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3021757 1.00 PPARD (0.48) PPARDPPARAPPARGSMN1; SMN2PTGDR2
SCHEMBL3021922 0.88 PPARD (0.49) PPARDPPARAPPARGSMN1; SMN2PTGDR2
SCHEMBL3021925 0.88 PPARD (0.49) PPARDPPARAPPARGSMN1; SMN2PTGDR2
SCHEMBL3025213 0.86 PPARD (0.51) PPARDPPARAPPARGSMN1; SMN2
SCHEMBL3025219 0.86 PPARD (0.51) PPARDPPARAPPARGSMN1; SMN2
SCHEMBL3026854 0.84 PPARD (0.69) PPARDPPARA
SCHEMBL3026852 0.84 PPARD (0.69) PPARDPPARA
SCHEMBL1244089 0.84 PPARD (0.50) PPARDPPARAPPARGSMN1; SMN2PTGDR2
SCHEMBL3030246 0.82 PPARA (0.45) PPARDPPARAPPARGSMN1; SMN2
SCHEMBL3030250 0.82 PPARA (0.45) PPARDPPARAPPARGSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA PPARD 2/4885PPARA 3/4885PPARG 1/4885

“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.