SCHEMBL6495352

SCHEMBL6495352

C[C@H](Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MLYCD O95822 8/20 0.49
RORC P51449 2/20 0.49
NR1H3 Q13133 5/20 0.47
NR1H2 P55055 3/20 0.46
RORA P35398 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6495349 1.00 SMN1; SMN2 (0.57) SMN1; SMN2MLYCDRORCNR1H3NR1H2
SCHEMBL943656 0.85 MMP2 (0.53) SMN1; SMN2
SCHEMBL735333 0.85 MMP2 (0.53) SMN1; SMN2
SCHEMBL9153423 0.80 CYP2D6 (0.40) SMN1; SMN2LMNAHTTNPSR1
SCHEMBL30007225 0.80 NR1H4 (0.53) SMN1; SMN2LMNAHTTNPSR1
SCHEMBL26687939 0.80 NR1H4 (0.53) SMN1; SMN2LMNAHTTNPSR1
SCHEMBL6244189 0.77 SMN1; SMN2 (0.49) SMN1; SMN2MLYCDRORCNR1H3NR1H2
SCHEMBL233005 0.75 CA12 (0.48) SMN1; SMN2LMNA
SCHEMBL233006 0.75 CA12 (0.48) SMN1; SMN2LMNA
SCHEMBL31745865 0.75 NR3C2 (0.50) SMN1; SMN2LMNAHTT

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-6900244-B2 Anilino liver X-receptor modulators PHARMACIA CORPORATION (US) 2005-05-31 US disclosed
US-20040087632-A1 Controlling metabolism of lipids, cholesterol PHARMACIA CORPORATION 2004-05-06 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-20040087632-A1 Controlling metabolism of lipids, cholesterol NR1H2, NR1H3, SREBF1 SMN1; SMN2 4658/4885MLYCD 670/4885RORC 129/4885

“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.