SCHEMBL5504723

SCHEMBL5504723

Cc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.39
CYP3A4 P08684 3/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
JAK2 O60674 1/20 0.33
BTK Q06187 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16762235 0.85 JAK2 (0.35) MAPK1JAK2BTK
SCHEMBL20661095 0.84 CYP3A4 (0.43) CD44CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL23974414 0.82 GAA (0.39) CYP3A4TSHRMAPK1JAK2BTK
SCHEMBL29885660 0.82 GAA (0.39) CYP3A4TSHRMAPK1JAK2BTK
SCHEMBL14790572 0.81 LPL (0.34) CD44JAK2BTKGAAALDH1A1
SCHEMBL30296221 0.81 LPL (0.34) CD44JAK2BTKGAAALDH1A1
SCHEMBL30296224 0.81 LPL (0.34) CD44JAK2BTKGAAALDH1A1
SCHEMBL30982000 0.80 GAA (0.36) CD44CYP3A4TSHRMAPK1JAK2
SCHEMBL3690683 0.80 CYP3A4 (0.43) CYP3A4TSHRMAPK1ALDH1A1TDP1
SCHEMBL27409909 0.80 GAA (0.36) CD44CYP3A4TSHRMAPK1JAK2

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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 US disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 WO 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 CD44 1419/4885CYP3A4 4247/4885TSHR 89/4885

“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.