SCHEMBL820473

SCHEMBL820473

COC(=O)[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KLK7 P49862 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PTPN1 P18031 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
SCHEMBL24411297 1.00 EPHX1 (0.36) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL5560650 1.00 EPHX1 (0.36) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL375503 1.00 EPHX1 (0.36) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL29819835 1.00 EPHX1 (0.36) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL2954122 1.00 EPHX1 (0.36) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL2962701 0.93 ALDH1A1 (0.39) EPHX1ALDH1A1HSD17B10SMN1; SMN2KLK7
SCHEMBL13199587 0.93 ALDH1A1 (0.39) EPHX1ALDH1A1HSD17B10SMN1; SMN2KLK7
SCHEMBL22980251 0.90 CHRM2 (0.35) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL2023504 0.87 HSD17B10 (0.40) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL6095020 0.87 HSD17B10 (0.40) EPHX1CHRM2CHRM1CHRM3ALDH1A1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS ELI LILLY AND COMPANY 2024-07-11 US disclosed
WO-2022261154-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS ELI LILLY AND COMPANY (US) 2022-12-15 WO disclosed
EP-2049563-B1 DIMERIC IAP ANTAGONISTS TETRALOGIC PHARM CORP (US) 2014-03-12 EP disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
US-20080103188-A1 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-01 US disclosed
US-20080103188-A1 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-01 US disclosed
US-20080020986-A1 DIMERIC IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2008-01-24 US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050197359-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
US-20050197367-A1 Novel bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 US disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 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 (9 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 EPHX1 3832/4885CHRM2 217/4885CHRM1 215/4885
US-20080020986-A1 DIMERIC IAP INHIBITORS BIRC2, BIRC7, BIRC8 EPHX1 3997/4885CHRM2 4860/4885CHRM1 4855/4885
US-20050197367-A1 Novel bicyclic compounds as modulators of androgen receptor function and method AR, NR5A1, ESRRA EPHX1 3740/4885CHRM2 277/4885CHRM1 399/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA EPHX1 4116/4885CHRM2 489/4885CHRM1 461/4885
US-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS KRAS, NRAS, TP53 EPHX1 2891/4885CHRM2 3723/4885CHRM1 3059/4885
US-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 EPHX1 3651/4885CHRM2 4448/4885CHRM1 4405/4885
US-20080108649-A1 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, SHBG EPHX1 4008/4885CHRM2 467/4885CHRM1 536/4885
US-20080103188-A1 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AR, ESRRA, NR5A1 EPHX1 3910/4885CHRM2 313/4885CHRM1 308/4885
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 EPHX1 2929/4885CHRM2 3639/4885CHRM1 2144/4885

“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.