SCHEMBL17664752

SCHEMBL17664752

CNC(C(=O)C(C)(C)C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TRPA1 O75762 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL13759903 1.00 DPP4 (0.32) DPP4CA12CA14TRPA1L3MBTL1
SCHEMBL23225998 0.86
SCHEMBL22017056 0.79 PSENEN (0.34) DPP4
SCHEMBL20996961 0.79 PSENEN (0.34) DPP4
SCHEMBL13792568 0.78 TDP1 (0.32) CA12CA14
SCHEMBL12597799 0.78 CA12 (0.34) CA12CA14TRPA1
SCHEMBL22872326 0.78 CA12 (0.34) CA12CA14TRPA1
SCHEMBL12250656 0.78 CA12 (0.34) CA12CA14TRPA1
SCHEMBL13788419 0.78 DPP4 (0.31) DPP4CA12CA14
SCHEMBL13686131 0.78 TRPA1 (0.35) TRPA1

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-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 US disclosed
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 US disclosed
US-20210147448-A1 OXO-SUBSTITUTED COMPOUND SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-05-20 US disclosed
WO-2016050209-A1 HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE 厦门赛诺邦格生物科技有限公司 2016-04-07 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-11702431-B2 Oxo-substituted compound CYP51A1, OXA1L, O60361 DPP4 999/4885CA12 3056/4885CA14 3053/4885
US-20210147448-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 DPP4 999/4885CA12 3056/4885CA14 3053/4885
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 DPP4 999/4885CA12 3056/4885CA14 3053/4885

“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.