SCHEMBL4453542

SCHEMBL4453542

O=C(NCc1cncc(C2CC2)c1)C(O)(c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
IDO1 P14902 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPK1 P28482 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.37
KCNH2 Q12809 2/20 0.35
GSPT1 P15170 1/20 0.35
CYP2C19 P33261 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CCR2 P41597 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNA7 P36544 2/20 0.34
MCHR1 Q99705 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
CNR1 P21554 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL4185760 1.00 MAPT (0.45) MAPTIDO1CYP11B1CYP11B2MAPK1
SCHEMBL4184766 1.00 MAPT (0.45) MAPTIDO1CYP11B1CYP11B2MAPK1
SCHEMBL4188271 0.91 RORC (0.40) CYP11B1CYP11B2SUCNR1KCNH2CCR2
SCHEMBL4189782 0.91 RORC (0.40) CYP11B1CYP11B2SUCNR1KCNH2CCR2
SCHEMBL4457927 0.91 RORC (0.40) CYP11B1CYP11B2SUCNR1KCNH2CCR2
SCHEMBL13625387 0.89 CYP11B1 (0.41) MAPTCYP11B1CYP11B2MAPK1SUCNR1
SCHEMBL4185981 0.89 SUCNR1 (0.38) MAPTCYP11B1CYP11B2MAPK1SUCNR1
SCHEMBL4194972 0.89 SUCNR1 (0.38) MAPTCYP11B1CYP11B2MAPK1SUCNR1
SCHEMBL4190731 0.89 SUCNR1 (0.38) MAPTCYP11B1CYP11B2MAPK1SUCNR1
SCHEMBL4454859 0.88 CYP11B1 (0.36) MAPTCYP11B1CYP11B2MAPK1SUCNR1

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 MAPT 1838/4885IDO1 1584/4885CYP11B1 94/4885

“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.