Sugi Predict

Sugi Predict / Compounds / SCHEMBL17545481

SCHEMBL17545481

SCHEMBL17545481

COC(=O)/C(C)=C(\c1ccc2c(c1)CC(C1CCN(C(=O)OC(C)(C)C)CC1)OC2)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ PDE4A P27815 2/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ STS P08842 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL19423766 0.79 NR1H2 (0.58) GPR119NPC1RAB9AABL1RIN1
SCHEMBL30578852 0.79 NR1H2 (0.58) GPR119NPC1RAB9AABL1RIN1
SCHEMBL17545463 0.78 GPR119 (0.46) GPR119NPC1RAB9APTPN2PTPN1
SCHEMBL19423631 0.75 TRPV3 (0.45) GPR119PTPN2PTPN1PTPN6ABL1
SCHEMBL20768195 0.75 TRPV3 (0.45) GPR119PTPN2PTPN1PTPN6ABL1
SCHEMBL19203264 0.73 USP30 (0.48) GPR119NPC1RAB9APTPN2PTPN1
SCHEMBL29039947 0.71 HDAC1 (0.46) GPR119PTPN2PTPN1PTPN6ABL1
SCHEMBL7437137 0.67 KDM4E (0.51) GPR119NPC1RAB9AKMT2AALDH1A1
SCHEMBL20768189 0.67 HDAC6 (0.42) NPC1RAB9AKMT2APDE4BPDE4D
SCHEMBL20768190 0.67 HDAC6 (0.42) NPC1RAB9AKMT2APDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662171-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2020-05-26 — — US disclosed
US-10662171-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2020-05-26 — — US disclosed
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 — — US disclosed
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 — — US disclosed
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-08-03 — — US disclosed
WO-2016022448-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-11 — — 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 (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-10662171-B2 Antidiabetic bicyclic compounds GPR119, GPR65, GLP1R GPR119 1/4885NPC1 291/4885RAB9A 3285/4885
US-20170217920-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, GPR65, GLP1R GPR119 1/4885NPC1 291/4885RAB9A 3285/4885

“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.