SCHEMBL927615

SCHEMBL927615

CN(C)CCc1ccc(OCCNC(=O)[C@@H]2Cc3ccccc3N2S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.41
MMP8 P22894 4/20 0.41
MMP3 P08254 2/20 0.41
CACNA1B Q00975 1/20 0.40
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGER3 P43115 1/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL927561 0.89 ALDH1A1 (0.44) GPR35ALDH1A1NPSR1POLBMMP8
SCHEMBL926562 0.89 NPC1 (0.50) ALDH1A1NPSR1POLBMMP8MMP3
SCHEMBL926278 0.88 MMP8 (0.44) GPR35ALDH1A1NPSR1POLBMMP8
SCHEMBL926649 0.88 MMP8 (0.44) GPR35ALDH1A1NPSR1POLBMMP8
SCHEMBL927317 0.86 NPC1 (0.48) ALDH1A1NPSR1POLBMMP8MMP3
SCHEMBL927527 0.85 FKBP1A (0.48) ALDH1A1NPSR1POLBNPC1RAB9A
SCHEMBL926338 0.83 FKBP1A (0.49) ALDH1A1NPSR1NPC1RAB9AKMT2A
SCHEMBL926912 0.82 FKBP1A (0.54) ALDH1A1NPSR1POLBNPC1RAB9A
SCHEMBL927595 0.82 POLB (0.51) ALDH1A1NPSR1POLBKMT2AMEN1
SCHEMBL926686 0.82 ESRRG (0.47) ALDH1A1NPSR1POLBNPC1RAB9A

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-7872021-B2 LXR receptor modulators LABORATORIES FOURNIER S.A. (FR) 2011-01-18 US disclosed
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 GPR35 71/4885ALDH1A1 2845/4885NPSR1 297/4885

“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.