SCHEMBL3472595

SCHEMBL3472595

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)N4CCCC(C(=O)O)C4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.65
NR1H2 P55055 6/20 0.65
NR1H3 Q13133 6/20 0.65
AKR1C3 P42330 3/20 0.43
KDM1A O60341 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMPD1 P17405 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AKR1C1 Q04828 2/20 0.37
DGAT2 Q96PD7 1/20 0.37
CNR1 P21554 1/20 0.36
VCP P55072 1/20 0.36
PTGS1 P23219 1/20 0.36
EPHX2 P34913 1/20 0.36
PTGS2 P35354 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL3472623 0.93 RXRA (0.64) RXRANR1H2NR1H3KDM1ANPC1
SCHEMBL3477711 0.92 RXRA (0.71) RXRANR1H2NR1H3AKR1C3SMPD1
SCHEMBL3472067 0.92 RXRA (0.66) RXRANR1H2NR1H3AKR1C3KDM1A
SCHEMBL3471590 0.91 RXRA (0.69) RXRANR1H2NR1H3RAB9ASMPD1
SCHEMBL3472436 0.91 RXRA (0.73) RXRANR1H2NR1H3NPC1HPGD
SCHEMBL3471934 0.90 RXRA (0.60) RXRANR1H2NR1H3KDM1ANPC1
SCHEMBL3471296 0.90 RXRA (0.74) RXRANR1H2NR1H3NPC1HPGD
SCHEMBL15641672 0.90 RXRA (0.63) RXRANR1H2NR1H3KDM1ANPC1
SCHEMBL3473830 0.89 RXRA (0.66) RXRANR1H2NR1H3KDM1AHPGD
SCHEMBL3471697 0.89 RXRA (0.68) RXRANR1H2NR1H3KDM1ASMPD1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US claimed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 1/4885NR1H3 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.