SCHEMBL4376617

SCHEMBL4376617

CC(C)(C)OC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.42
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.40
STS P08842 1/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
DPP4 P27487 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCRTR2 O43614 1/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 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
SCHEMBL6052767 1.00 KLK7 (0.42) KLK7GAATHRBSMN1; SMN2LMNA
SCHEMBL4376621 1.00 KLK7 (0.42) KLK7GAATHRBSMN1; SMN2LMNA
SCHEMBL8908032 0.83 KLK7 (0.47) KLK7GAATHRBSMN1; SMN2LMNA
SCHEMBL8907403 0.83 KLK7 (0.47) KLK7GAATHRBSMN1; SMN2LMNA
SCHEMBL12299746 0.80 ABCB1 (0.46) KLK7SMN1; SMN2LMNAKEAP1NFE2L2
SCHEMBL2938093 0.79 ACHE (0.44) GAATHRBSMN1; SMN2LMNASTS
SCHEMBL2938095 0.79 ACHE (0.44) GAATHRBSMN1; SMN2LMNASTS
SCHEMBL17686007 0.79 STS (0.47) LMNASTSACHEKDM4EPKM
SCHEMBL24411299 0.78 ALDH1A1 (0.37) SMN1; SMN2MEN1ALDH1A1TSHRKMT2A
SCHEMBL375444 0.78 ALDH1A1 (0.37) SMN1; SMN2MEN1ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625923-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-7625923-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
EP-1722793-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION Brystol-Myers Squibb Company (US) 2006-11-22 EP disclosed
WO-2005087232-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-22 WO disclosed
US-20050197359-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 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-20050197359-A1 Bicyclic modulators of androgen receptor function AR, ESRRA, NR5A1 KLK7 2190/4885GAA 3629/4885THRB 305/4885

“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.