SCHEMBL5566653

SCHEMBL5566653

CCCOc1cccc(CNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.42
MMP8 P22894 2/20 0.42
MMP3 P08254 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ROCK2 O75116 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL926858 0.92 PKM (0.42) PKMMMP8MMP3LMNAALDH1A1
SCHEMBL929513 0.86 LMNA (0.43) PKMLMNAALDH1A1SMN1; SMN2GLA
SCHEMBL926836 0.85 FKBP1A (0.48) PKMLMNAALDH1A1SMN1; SMN2GLA
SCHEMBL926562 0.83 NPC1 (0.50) PKMMMP8MMP3LMNAALDH1A1
SCHEMBL929036 0.83 ALDH1A1 (0.44) PKMMMP8MMP3LMNAALDH1A1
SCHEMBL926437 0.81 LMNA (0.47) PKMLMNAALDH1A1SMN1; SMN2GLA
SCHEMBL927263 0.81 LMNA (0.49) PKMLMNAALDH1A1SMN1; SMN2GLA
SCHEMBL926246 0.80 EPHX2 (0.48) PKMLMNAALDH1A1SMN1; SMN2GLA
SCHEMBL925329 0.80 EPHX2 (0.47) PKMMMP8MMP3LMNAALDH1A1
SCHEMBL4842754 0.79 RORC (0.44)

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-20070099960-A1 LXR receptor modulators LABORATOIRES FOURNIER S.A. (FR) 2007-05-03 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-20070099960-A1 LXR receptor modulators NR1H2, NR1H3, PPARD PKM 878/4885MMP8 4719/4885MMP3 4694/4885

“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.