SCHEMBL2798703

SCHEMBL2798703

COC(=O)[C@H]1CN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.48
NR1H3 Q13133 1/20 0.48
PTPN1 P18031 1/20 0.45
MMP2 P08253 1/20 0.41
ANPEP P15144 1/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4B Q07343 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
FKBP1A P62942 1/20 0.37
USP2 O75604 1/20 0.37
EPHX1 P07099 1/20 0.36

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
SCHEMBL3786077 1.00 NR1H2 (0.48) NR1H2NR1H3PTPN1MMP2ANPEP
SCHEMBL2278207 1.00 NR1H2 (0.48) NR1H2NR1H3PTPN1MMP2ANPEP
SCHEMBL30401835 0.98 NR1H2 (0.47) NR1H2NR1H3PTPN1MMP2ANPEP
SCHEMBL2253790 0.85 MMP2 (0.43) NR1H2NR1H3PTPN1MMP2ANPEP
SCHEMBL18589421 0.85 PEPD (0.47) NR1H2NR1H3PTPN1MMP2ANPEP
SCHEMBL24645309 0.85 PEPD (0.47) NR1H2NR1H3PTPN1MMP2ANPEP
SCHEMBL6122335 0.85 MMP2 (0.43) NR1H2NR1H3PTPN1MMP2ANPEP
SCHEMBL6848252 0.85 MMP2 (0.43) NR1H2NR1H3PTPN1MMP2ANPEP
SCHEMBL3789795 0.85 CYP3A4 (0.53) NR1H2NR1H3PTPN1MMP2ANPEP
SCHEMBL882756 0.85 PEPD (0.47) NR1H2NR1H3PTPN1MMP2ANPEP

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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
EP-2847185-B1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-11-16 EP disclosed
US-9144239-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2015-09-29 US disclosed
EP-2847185-A2 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES Dow AgroSciences LLC (US) 2015-03-18 EP disclosed
US-20140275171-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2014-09-18 US disclosed
US-8785479-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES, LLC. (US) 2014-07-22 US disclosed
WO-2013169662-A2 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2013-11-14 WO disclosed
US-20130296375-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2013-11-07 US disclosed
WO-2010091104-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS EXELIXIS, INC. (US) 2010-08-12 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 (3 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-20140275171-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, FKBP2, CYP51A1 NR1H2 3105/4885NR1H3 3405/4885PTPN1 130/4885
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV NR1H2 2279/4885NR1H3 2251/4885PTPN1 1542/4885
US-20130296375-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, FKBP2, CYP51A1 NR1H2 3105/4885NR1H3 3405/4885PTPN1 130/4885

“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.