SCHEMBL926622

SCHEMBL926622

CC(C)(C)c1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
FKBP1A P62942 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL927527 0.93 FKBP1A (0.48) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL928082 0.91 PSEN1 (0.51) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL926338 0.90 FKBP1A (0.49) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL926912 0.90 FKBP1A (0.54) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL927595 0.90 POLB (0.51) ALDH1A1FKBP1AKMT2AMAPK1NPSR1
SCHEMBL926686 0.90 ESRRG (0.47) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL926834 0.89 RORC (0.50) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL926406 0.89 FKBP1A (0.47) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL929397 0.89 ESRRG (0.47) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL928733 0.89 PSEN1 (0.51) ALDH1A1PSEN1PSEN2APH1BNCSTN

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 ALDH1A1 2845/4885PSEN1 281/4885PSEN2 258/4885

“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.