SCHEMBL929397

SCHEMBL929397

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ALDH1A1 P00352 3/20 0.44
FKBP1A P62942 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TGM2 P21980 1/20 0.44
POLB P06746 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TP53 P04637 1/20 0.41
RORC P51449 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGER3 P43115 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
SCHEMBL927527 0.95 FKBP1A (0.48) ESRRGCA1CA2ALDH1A1FKBP1A
SCHEMBL926338 0.93 FKBP1A (0.49) ESRRGALDH1A1FKBP1AMAPK1NPSR1
SCHEMBL926912 0.92 FKBP1A (0.54) ESRRGCA1CA2ALDH1A1FKBP1A
SCHEMBL926686 0.92 ESRRG (0.47) ESRRGCA1CA2ALDH1A1FKBP1A
SCHEMBL927595 0.92 POLB (0.51) ESRRGCA1CA2ALDH1A1FKBP1A
SCHEMBL926834 0.91 RORC (0.50) ESRRGCA1CA2ALDH1A1FKBP1A
SCHEMBL928733 0.91 PSEN1 (0.51) ESRRGCA1CA2ALDH1A1FKBP1A
SCHEMBL926406 0.91 FKBP1A (0.47) ESRRGCA1CA2ALDH1A1FKBP1A
SCHEMBL926437 0.91 LMNA (0.47) CA1CA2ALDH1A1FKBP1APOLB
SCHEMBL926738 0.89 ALDH1A1 (0.47) CA1CA2ALDH1A1FKBP1AMAPK1

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 ESRRG 93/4885CA1 4801/4885CA2 4607/4885

“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.