SCHEMBL16650141

SCHEMBL16650141

CC(C)CNC(=O)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 3/20 0.50
EPHX1 P07099 2/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PTGS2 P35354 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
ECE1 P42892 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
KMT2A Q03164 2/20 0.39

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
SCHEMBL1275889 0.85 CYP2D6 (0.65) CYP2D6CYP2C19MAPTEPHX1LMNA
SCHEMBL17373960 0.80 EGLN1 (0.48) MAPTLMNAALDH1A1PTGS2TDP1
SCHEMBL27322897 0.78 EPHX1 (0.56) CYP2D6CYP2C19MAPTEPHX1MMP1
SCHEMBL12709660 0.78 EPHX1 (0.47) CYP2D6CYP2C19MAPTEPHX1LMNA
SCHEMBL10224058 0.77 EPHX1 (0.60) CYP2D6CYP2C19MAPTEPHX1LMNA
SCHEMBL965868 0.76 EPHX1 (0.59) CYP2D6CYP2C19MAPTEPHX1LMNA
SCHEMBL18782866 0.74 CYP2D6 (0.52) CYP2D6CYP2C19MAPTEPHX1LMNA
SCHEMBL11661134 0.74 ALDH1A1 (0.50) CYP2D6CYP2C19MAPTEPHX1LMNA
SCHEMBL15148253 0.74 CYP2D6 (0.52) CYP2D6CYP2C19MAPTEPHX1LMNA
SCHEMBL16801793 0.74 CYP2D6 (0.52) CYP2D6CYP2C19MAPTEPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057971-B1 1-(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS LILLY CO ELI (US) 2018-12-12 EP disclosed
EP-3063162-B1 GLUCOPYRANOSYL-SUBSTITUTED INDOLE-UREA DERIVATIVES AND THEIR USE AS SGLT INHIBITORS LILLY CO ELI (US) 2017-08-16 EP disclosed
EP-3063162-B1 GLUCOPYRANOSYL-SUBSTITUTED INDOLE-UREA DERIVATIVES AND THEIR USE AS SGLT INHIBITORS LILLY CO ELI (US) 2017-08-16 EP disclosed
EP-3063162-A1 GLUCOPYRANOSYL-SUBSTITUTED INDOLE-UREA DERIVATIVES AND THEIR USE AS SGLT INHIBITORS Eli Lilly and Company (US) 2016-09-07 EP disclosed
EP-3057971-A1 1 -(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS Eli Lilly and Company (US) 2016-08-24 EP disclosed
US-9145435-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 US disclosed
US-9145437-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 US disclosed
US-9145437-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 US disclosed
US-9145437-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 US disclosed
US-9145435-B2 Urea compounds ELI LILLY AND COMPANY (US) 2015-09-29 US disclosed
US-20150126469-A1 NOVEL UREA COMPOUNDS LILLY CO ELI (US) 2015-05-07 US disclosed
US-20150126469-A1 NOVEL UREA COMPOUNDS LILLY CO ELI (US) 2015-05-07 US disclosed
US-20150126469-A1 NOVEL UREA COMPOUNDS LILLY CO ELI (US) 2015-05-07 US disclosed
US-20150111846-A1 NOVEL UREA COMPOUNDS ELI LILLY AND COMPANY 2015-04-23 US disclosed
US-20150111846-A1 NOVEL UREA COMPOUNDS ELI LILLY AND COMPANY 2015-04-23 US disclosed
US-20150111846-A1 NOVEL UREA COMPOUNDS ELI LILLY AND COMPANY 2015-04-23 US disclosed
WO-2015057953-A1 1 -(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2015-04-23 WO disclosed
WO-2015057953-A1 1 -(BETA-D-GLUCOPYRANOSYL)-1H-INDOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2015-04-23 WO disclosed
CN-103539703-A Synthesis method of 2-(3-isobutyl ureido) acetate WUXI APPTEC TIANJIN CO LTD 2014-01-29 CN disclosed
CN-103539703-A Synthesis method of 2-(3-isobutyl ureido) acetate WUXI APPTEC TIANJIN CO LTD 2014-01-29 CN 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-20150111846-A1 NOVEL UREA COMPOUNDS SLC14A1, SLC10A1, UTS2R CYP2D6 1316/4885CYP2C19 1019/4885MAPT 768/4885
US-20150126469-A1 NOVEL UREA COMPOUNDS SLC14A1, SLC10A1, UTS2R CYP2D6 1316/4885CYP2C19 1019/4885MAPT 768/4885

“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.