SCHEMBL4194972

SCHEMBL4194972

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
NAMPT P43490 1/20 0.35
MAPT P10636 1/20 0.35
CCR2 P41597 2/20 0.34
KCNH2 Q12809 2/20 0.34
P2RX7 Q99572 3/20 0.33
RORC P51449 2/20 0.33
NR1I2 O75469 1/20 0.33
MAPK1 P28482 1/20 0.33
DHODH Q02127 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM1A O60341 1/20 0.33
HDAC1 Q13547 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4190731 1.00 SUCNR1 (0.38) SUCNR1CYP11B1CYP11B2NAMPTMAPT
SCHEMBL4185981 1.00 SUCNR1 (0.38) SUCNR1CYP11B1CYP11B2NAMPTMAPT
SCHEMBL4457484 0.91 CYP11B1 (0.36) SUCNR1CYP11B1CYP11B2NAMPTMAPT
SCHEMBL4454859 0.91 CYP11B1 (0.36) SUCNR1CYP11B1CYP11B2NAMPTMAPT
SCHEMBL4453172 0.91 CYP11B1 (0.36) SUCNR1CYP11B1CYP11B2NAMPTMAPT
SCHEMBL4188271 0.90 RORC (0.40) SUCNR1CYP11B1CYP11B2CCR2KCNH2
SCHEMBL4189782 0.90 RORC (0.40) SUCNR1CYP11B1CYP11B2CCR2KCNH2
SCHEMBL4457927 0.90 RORC (0.40) SUCNR1CYP11B1CYP11B2CCR2KCNH2
SCHEMBL4185760 0.89 MAPT (0.45) SUCNR1CYP11B1CYP11B2MAPTCCR2
SCHEMBL4453542 0.89 MAPT (0.45) SUCNR1CYP11B1CYP11B2MAPTCCR2

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
EP-2083624-A2 2-HYDROXY-2-PHENYL/THIOPHENYL PROPIONAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP 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 SUCNR1 2093/4885CYP11B1 94/4885CYP11B2 51/4885

“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.