SCHEMBL4371165

SCHEMBL4371165

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 1/20 0.32
HPGD P15428 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
HSD17B10 Q99714 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
EPHX1 P07099 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL4371444 1.00 RECQL (0.33) RECQLUSP2SMN1; SMN2NR1H2HPGD
SCHEMBL2958649 1.00 RECQL (0.33) RECQLUSP2SMN1; SMN2NR1H2HPGD
SCHEMBL6026102 1.00 RECQL (0.33) RECQLUSP2SMN1; SMN2NR1H2HPGD
SCHEMBL4370444 1.00 RECQL (0.33) RECQLUSP2SMN1; SMN2NR1H2HPGD
SCHEMBL2966020 0.86 PPM1D (0.33)
SCHEMBL4370217 0.86 PPM1D (0.33)
SCHEMBL6052834 0.86 PPM1D (0.33)
SCHEMBL15512775 0.81 SMN1; SMN2 (0.33) RECQLUSP2SMN1; SMN2HPGDCHRM2
SCHEMBL143218 0.81 SMN1; SMN2 (0.33) RECQLUSP2SMN1; SMN2HPGDCHRM2
SCHEMBL4370286 0.79 RECQL (0.32) RECQLUSP2SMN1; SMN2HPGDCHRM2

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 7 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-20050203093-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS 2005-09-15 US disclosed
US-20050197359-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
US-6492372-B1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-10 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 (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-20050197359-A1 Bicyclic modulators of androgen receptor function AR, ESRRA, NR5A1 RECQL 2563/4885USP2 3609/4885SMN1; SMN2 1254/4885
US-20050203093-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 RECQL 4809/4885USP2 4601/4885SMN1; SMN2 2266/4885

“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.