SCHEMBL5486431

SCHEMBL5486431

Cc1cc2c(cc1-c1cc(CN3C(=O)CSC3=O)ccc1N(C)C)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
POLB P06746 1/20 0.41
RXRA P19793 9/20 0.41
RXRG P48443 5/20 0.41
RXRB P28702 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
PPARG P37231 1/20 0.36
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
AXL P30530 1/20 0.35
KCNN4 O15554 1/20 0.33
PIM1 P11309 1/20 0.33
RARA P10276 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
SCHEMBL7466516 0.92 GSK3A (0.43) GSK3AGSK3BPOLBRXRARXRG
SCHEMBL7460353 0.87 GSK3A (0.48) GSK3AGSK3BPOLBRXRARXRG
SCHEMBL5485145 0.86 RXRA (0.46) GSK3AGSK3BPOLBRXRARXRG
SCHEMBL7463442 0.85 ALDH1A1 (0.46) GSK3AGSK3BPOLBRXRARXRG
SCHEMBL7464315 0.85 GSK3A (0.45) GSK3AGSK3BPOLBRXRARXRG
SCHEMBL7464561 0.84 GSK3A (0.47) GSK3AGSK3BPOLBRXRARXRG
SCHEMBL7461714 0.84 GSK3A (0.44) GSK3AGSK3BPOLBRXRARXRG
SCHEMBL7468575 0.82 KMT2A (0.46) GSK3AGSK3BPOLBRXRARXRG
SCHEMBL7466491 0.81 POLB (0.43) GSK3AGSK3BPOLBRXRARXRG
SCHEMBL5486423 0.81 RXRA (0.49) POLBRXRAKCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226940-B2 Substituted heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO, INC. (US) 2007-06-05 US disclosed
US-20060004059-A1 Substituted heterocycles for the treatment of diabetes and other diseases PFAHL MAGNUS 2006-01-05 US disclosed
US-6515003-B1 Useful in the treatment of diseases related to lipid and carbohydrate metabolism MAXIA PHARMACEUTICALS, INC. 2003-02-04 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-20060004059-A1 Substituted heterocycles for the treatment of diabetes and other diseases FABP4, HPGDS, GPR119 GSK3A 1360/4885GSK3B 1164/4885POLB 3245/4885

“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.