SCHEMBL4454859

SCHEMBL4454859

O=C(NCc1cncc(C2CC2)c1)C(O)(c1ccc(Cl)c(F)c1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.36
CYP11B2 P19099 5/20 0.36
MAPT P10636 1/20 0.36
P2RX7 Q99572 3/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
NAMPT P43490 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
CHRNA7 P36544 2/20 0.33
ROCK2 O75116 1/20 0.33
CRHR1 P34998 1/20 0.33
CCR2 P41597 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 1/20 0.33
RPS6KA1 Q15418 1/20 0.33

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
SCHEMBL4453172 1.00 CYP11B1 (0.36) CYP11B1CYP11B2MAPTP2RX7SUCNR1
SCHEMBL4457484 1.00 CYP11B1 (0.36) CYP11B1CYP11B2MAPTP2RX7SUCNR1
SCHEMBL4185981 0.91 SUCNR1 (0.38) CYP11B1CYP11B2MAPTP2RX7SUCNR1
SCHEMBL4190731 0.91 SUCNR1 (0.38) CYP11B1CYP11B2MAPTP2RX7SUCNR1
SCHEMBL4194972 0.91 SUCNR1 (0.38) CYP11B1CYP11B2MAPTP2RX7SUCNR1
SCHEMBL4184766 0.88 MAPT (0.45) CYP11B1CYP11B2MAPTSUCNR1CHRNA7
SCHEMBL4453542 0.88 MAPT (0.45) CYP11B1CYP11B2MAPTSUCNR1CHRNA7
SCHEMBL4185760 0.88 MAPT (0.45) CYP11B1CYP11B2MAPTSUCNR1CHRNA7
SCHEMBL4189782 0.87 RORC (0.40) CYP11B1CYP11B2SUCNR1CCR2KCNH2
SCHEMBL4188271 0.87 RORC (0.40) CYP11B1CYP11B2SUCNR1CCR2KCNH2

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-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-11-05 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-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS SHBG, AR, FSHR CYP11B1 94/4885CYP11B2 51/4885MAPT 1838/4885

“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.