SCHEMBL22404433

SCHEMBL22404433

COC(=O)CC[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CYP2D6 P10635 1/20 0.46
CTSK P43235 9/20 0.46
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CTSS P25774 4/20 0.41
TSHR P16473 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL11931408 1.00 CA2 (0.47) CA2CA1CA7CYP2D6CTSK
SCHEMBL21510806 1.00 CA2 (0.47) CA2CA1CA7CYP2D6CTSK
SCHEMBL17378069 0.87 CA2 (0.46) CA2CA1CA7CYP2D6CTSK
SCHEMBL29496897 0.85 CYP1A2 (0.51) CA2CA1CA7CYP2D6CTSK
SCHEMBL31059732 0.85 CYP1A2 (0.51) CA2CA1CA7CYP2D6CTSK
SCHEMBL25166100 0.85 CYP1A2 (0.51) CA2CA1CA7CYP2D6CTSK
SCHEMBL18494114 0.84 CA1 (0.49) CA2CA1CA7CYP2D6CTSK
SCHEMBL23833052 0.84 CA1 (0.49) CA2CA1CA7CYP2D6CTSK
SCHEMBL1000144 0.84 CA1 (0.49) CA2CA1CA7CYP2D6CTSK
SCHEMBL6375701 0.84 CA1 (0.49) CA2CA1CA7CYP2D6CTSK

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-20250066328-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2025-02-27 US disclosed
WO-2025024663-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2025-01-30 WO disclosed
US-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-09-26 US disclosed
WO-2024178335-A2 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-08-29 WO disclosed
US-11034671-B2 Apoptosis signal-regulating kinase inhibitors and uses thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-06-15 US disclosed
US-20200283404-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-09-10 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 (4 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-20200283404-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AND USES THEREOF DAPK1, ATF1, BAD CA2 3975/4885CA1 3934/4885CA7 4690/4885
US-11034671-B2 Apoptosis signal-regulating kinase inhibitors and uses thereof DAPK1, ATF1, BAD CA2 3975/4885CA1 3934/4885CA7 4690/4885
US-20250066328-A1 PARP7 INHIBITORS PARP1, PARP2, PARP8 CA2 4202/4885CA1 4582/4885CA7 268/4885
US-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK20, CDK3 CA2 2755/4885CA1 2902/4885CA7 4335/4885

“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.