SCHEMBL13435722

SCHEMBL13435722

CCOC(=O)C(C)(C)c1cc(Br)c2c(c1)CC(c1ccc(OC(F)(F)F)cc1)N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
POLB P06746 2/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
PPARG P37231 2/20 0.34
PKM P14618 1/20 0.34
CNR2 P34972 5/20 0.33
PPARA Q07869 2/20 0.33
PDE5A O76074 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARD Q03181 1/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
FBP1 P09467 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
SCHEMBL13435579 0.74 SMN1; SMN2 (0.35) POLBPDE4BPDE4DPKMPPARA
SCHEMBL8156914 0.71 CNR2 (0.40) POLBCNR2PPARAABCB11CYP1A2
SCHEMBL3485536 0.70 CNR2 (0.38) POLBCNR2PPARAABCB11CYP1A2
SCHEMBL3485845 0.69 ACACB (0.38) POLBCNR2PPARAABCB11CYP1A2
SCHEMBL8794052 0.65 PPARA (0.71) EPHX2POLBPPARGPPARAABCB11
SCHEMBL14653829 0.64 POLB (0.52) EPHX2POLBPPARGPPARAABCB11
SCHEMBL14653830 0.63 PPARA (0.52) EPHX2POLBPPARGPPARAABCB11
SCHEMBL3484832 0.63 KCNQ2 (0.48) POLB
SCHEMBL2721728 0.62 CA12 (0.59) EPHX2POLBPPARGPPARACYP1A2
SCHEMBL3100843 0.62 POLB (0.52) EPHX2POLBPPARGPPARAABCB11

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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 EPHX2 3464/4885POLB 4509/4885PDE4B 1873/4885

“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.