SCHEMBL4457927

SCHEMBL4457927

O=C(NCc1cncc(C2CC2)c1)[C@](O)(c1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.40
NR1I2 O75469 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CETP P11597 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR2 P41597 4/20 0.37
KCNH2 Q12809 3/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
VNN1 O95497 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL4189782 1.00 RORC (0.40) RORCNR1I2CYP11B1CYP11B2CETP
SCHEMBL4188271 1.00 RORC (0.40) RORCNR1I2CYP11B1CYP11B2CETP
SCHEMBL4184766 0.91 MAPT (0.45) CYP11B1CYP11B2CCR2KCNH2SUCNR1
SCHEMBL4185760 0.91 MAPT (0.45) CYP11B1CYP11B2CCR2KCNH2SUCNR1
SCHEMBL4453542 0.91 MAPT (0.45) CYP11B1CYP11B2CCR2KCNH2SUCNR1
SCHEMBL13625387 0.90 CYP11B1 (0.41) RORCCYP11B1CYP11B2CETPCCR2
SCHEMBL4190731 0.90 SUCNR1 (0.38) RORCNR1I2CYP11B1CYP11B2CCR2
SCHEMBL4194972 0.90 SUCNR1 (0.38) RORCNR1I2CYP11B1CYP11B2CCR2
SCHEMBL4185981 0.90 SUCNR1 (0.38) RORCNR1I2CYP11B1CYP11B2CCR2
SCHEMBL4454859 0.87 CYP11B1 (0.36) CYP11B1CYP11B2CCR2KCNH2SUCNR1

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 4 patents. 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
US-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-11-05 US disclosed
US-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-11-05 US disclosed
WO-2008048540-A2 2-HYDROXY-2-PHENYL/THIOPHENYL PROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-04-24 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-20090275515-A1 2-HYDROXY-2-PHENYLTHIOPHENYLPROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS SHBG, AR, FSHR RORC 2145/4885NR1I2 332/4885CYP11B1 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.