SCHEMBL4417950

SCHEMBL4417950

CCc1c(NC(=O)C(C)(C)C)ccc(Cl)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 12/20 0.41
PDK2 Q15119 12/20 0.41
PDK3 Q15120 12/20 0.41
PDK4 Q16654 12/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 1/20 0.37

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
SCHEMBL14217437 0.84 L3MBTL1 (0.39) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL1291381 0.81 PDK1 (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL29624959 0.81 PDK1 (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL4422890 0.80 PDK1 (0.43) PDK1PDK2PDK3PDK4POLB
SCHEMBL2432483 0.80 MEN1 (0.44) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2430587 0.76 PDK1 (0.42) PDK1PDK2PDK3PDK4MEN1
SCHEMBL2433013 0.74 PDK1 (0.38) PDK1PDK2PDK3PDK4MEN1
SCHEMBL10072798 0.74 CETP (0.54) MEN1RAB9AKMT2ALMNAMAPT
SCHEMBL13889771 0.71 LMNA (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL9835326 0.70 LMNA (0.54) PDK1PDK2PDK3PDK4MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632858-B2 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-7632858-B2 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-7632858-B2 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-20080108691-A1 OPEN-CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
US-20080108691-A1 OPEN-CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
EP-1567487-A4 OPEN CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-11-16 EP disclosed
EP-1567487-A2 OPEN CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-08-31 EP disclosed
US-20050059652-A1 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-03-17 US disclosed
WO-2004045518-A2 OPEN CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-03 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 (2 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-20050059652-A1 Open chain prolyl urea-related modulators of androgen receptor function AR, SHBG, ESRRA PDK1 1311/4885PDK2 1406/4885PDK3 1180/4885
US-20080108691-A1 OPEN-CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION SHBG, ESRRA, AR PDK1 840/4885PDK2 1079/4885PDK3 873/4885

“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.