SCHEMBL2643459

SCHEMBL2643459

CC(CN1C(=O)SC(=O)C1Cc1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.39
RXRB P28702 4/20 0.39
CYP26B1 Q9NR63 4/20 0.35
CYP26A1 O43174 3/20 0.35
CYP3A4 P08684 1/20 0.35
RARB P10826 9/20 0.34
RARG P13631 8/20 0.34
RXRG P48443 3/20 0.34
RARA P10276 6/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
SPPL2A Q8TCT8 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PPARG P37231 1/20 0.32
ACE P12821 1/20 0.32

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
SCHEMBL8736104 0.71 RXRA (0.50) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL6148854 0.67 RXRA (0.46) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL6148846 0.67 RXRA (0.46) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL6147928 0.66 RXRA (0.44) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL6147935 0.66 RXRA (0.44) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL1618997 0.65 RXRA (0.40) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL7460363 0.65 ALDH1A1 (0.36) RXRARXRBRXRGPPARG
SCHEMBL7759792 0.64 RXRA (0.70) RXRARXRBCYP26B1CYP26A1CYP3A4
SCHEMBL7464569 0.64 CCR3 (0.35) RXRA
SCHEMBL6147966 0.62 PPARG (0.53) RXRARXRBCYP26B1CYP26A1CYP3A4

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-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 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-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase GCK, GCKR, PDXK RXRA 3816/4885RXRB 3221/4885CYP26B1 1404/4885

“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.