SCHEMBL13625412

SCHEMBL13625412

O=C(NCc1cncc(C(F)(F)F)c1)[C@](O)(c1ccc(Cl)c(F)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NAMPT P43490 2/20 0.38
PTGES O14684 1/20 0.37
ADORA2B P29275 3/20 0.37
SORT1 Q99523 1/20 0.36
CETP P11597 1/20 0.36
GLA P06280 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
WDR5 P61964 1/20 0.36
MTOR P42345 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
SCHEMBL4192558 0.90 SUCNR1 (0.42) MEN1KMT2ASUCNR1NAMPTADORA2B
SCHEMBL4187474 0.90 SUCNR1 (0.42) MEN1KMT2ASUCNR1NAMPTADORA2B
SCHEMBL4191546 0.90 SUCNR1 (0.42) MEN1KMT2ASUCNR1NAMPTADORA2B
SCHEMBL4185837 0.85 CETP (0.45) MEN1KMT2ASUCNR1NAMPTADORA2B
SCHEMBL4178661 0.85 CETP (0.45) MEN1KMT2ASUCNR1NAMPTADORA2B
SCHEMBL4181225 0.85 CETP (0.45) MEN1KMT2ASUCNR1NAMPTADORA2B
SCHEMBL4453172 0.85 CYP11B1 (0.36) SUCNR1NAMPT
SCHEMBL4454859 0.85 CYP11B1 (0.36) SUCNR1NAMPT
SCHEMBL4457484 0.85 CYP11B1 (0.36) SUCNR1NAMPT
SCHEMBL13255835 0.82 MEN1 (0.39) MEN1KMT2ASUCNR1LMNAHPGD

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-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 MEN1 3784/4885KMT2A 308/4885HSP90AA1 1082/4885

“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.