SCHEMBL21029951

SCHEMBL21029951

Cc1cnc(OC(C)C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.41
FDPS P14324 1/20 0.33
PTGS1 P23219 1/20 0.33
ACACB O00763 10/20 0.31
ACACA Q13085 2/20 0.31
CYP2C9 P11712 2/20 0.31
KDR P35968 2/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
IGF1R P08069 1/20 0.30
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30
LTK P29376 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
SCHEMBL7767781 0.81 NOS1 (0.40) NOS1FDPS
SCHEMBL1368651 0.77 PTGS1 (0.32) PTGS1ACACBACACACYP2C9
SCHEMBL25693140 0.77 PIK3CD (0.34) NOS1PTGS1ACACBACACACYP2C9
SCHEMBL26365157 0.77 PTGS1 (0.32) PTGS1ACACBACACACYP2C9
SCHEMBL12701695 0.77 PTGS1 (0.32) PTGS1ACACBACACACYP2C9
SCHEMBL19256888 0.77 PTGS1 (0.38) PTGS1ACACBACACACYP2C9CYP2C19
SCHEMBL27661418 0.75 ACACB (0.33) PTGS1ACACBACACACYP2C9CYP2C19
SCHEMBL8083989 0.72 NOS1 (0.40) NOS1
SCHEMBL5255307 0.72 HRH3 (0.34) PTGS1ACACBACACACYP2C9CYP2C19
SCHEMBL21772449 0.72 PTGS1 (0.33) PTGS1ACACBACACACYP2C9CYP2C19

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-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-06-08 US disclosed
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-06-08 US disclosed
WO-2021233227-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-25 WO disclosed
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2021-11-02 US disclosed
EP-3828184-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR Medshine Discovery Inc. (CN) 2021-06-02 EP disclosed
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-11-05 US disclosed
WO-2020038394-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR 南京明德新药研发有限公司 2020-02-27 WO disclosed
US-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-05-30 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 (5 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-20190161448-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 NOS1 1044/4885FDPS 1591/4885PTGS1 421/4885
US-11161819-B2 Substituted tetrahydroisoquinoline compounds useful as GPR120 agonists GPR119, GPR88, GPR180 NOS1 1055/4885FDPS 1606/4885PTGS1 508/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 NOS1 2071/4885FDPS 943/4885PTGS1 826/4885
US-20200347020-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 NOS1 1055/4885FDPS 1606/4885PTGS1 508/4885
US-20230174556-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS PIK3CA, AKT1, PIK3CB NOS1 3456/4885FDPS 1401/4885PTGS1 2512/4885

“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.