SCHEMBL18997957

SCHEMBL18997957

Cc1ncc(C(=O)C(C)C)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.62
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ PSMB10 P40306 3/20 0.34
▸ PSMB2 P49721 3/20 0.34
▸ PSMB11 A5LHX3 2/20 0.34
▸ PSMA7 O14818 2/20 0.34
▸ PSMB1 P20618 2/20 0.34
▸ PSMA1 P25786 2/20 0.34
▸ PSMA2 P25787 2/20 0.34
▸ PSMA3 P25788 2/20 0.34
▸ PSMA4 P25789 2/20 0.34
▸ PSMB8 P28062 2/20 0.34
▸ PSMB9 P28065 2/20 0.34
▸ PSMA5 P28066 2/20 0.34
▸ PSMB4 P28070 2/20 0.34
▸ PSMB6 P28072 2/20 0.34
▸ PSMB5 P28074 2/20 0.34
▸ PSMB3 P49720 2/20 0.34

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
SCHEMBL31442860 0.85 HCAR2 (0.58) HCAR2CCNE1CDK2CDK5PSMB10
SCHEMBL27858708 0.79 HCAR2 (0.72) HCAR2CDC7DBF4RAB9ASMN1; SMN2
SCHEMBL27395757 0.78 ALDH1A1 (0.38) HCAR2CCNE1CDK2CDK5LIMK1
SCHEMBL186167 0.77 — —
SCHEMBL4781387 0.77 — —
SCHEMBL27315807 0.76 BTK (0.37) HCAR2CCNE1CDK2CDK5RAB9A
SCHEMBL1435803 0.75 — —
SCHEMBL328096 0.75 — —
Hydrochloric Acid SCHEMBL9653796 0.75 HCAR2 (0.96) HCAR2RAB9ASMN1; SMN2GAAMAPT
SCHEMBL17248050 0.74 MAPK14 (0.50) CCNE1CDK2CDK5RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 — — US disclosed
US-11732005-B2 Peptidomimetic proteasome inhibitors CORNELL UNIVERSITY (US) 2023-08-22 — — US disclosed
US-11732005-B2 Peptidomimetic proteasome inhibitors CORNELL UNIVERSITY (US) 2023-08-22 — — US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 — — US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 — — US disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 — — US disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 — — US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 — — US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 — — US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 — — US disclosed
WO-2019075252-A1 PEPTIDOMIMETIC PROTEASOME INHIBITORS CORNELL UNIVERSITY (US) 2019-04-18 — — WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 — — 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 (10 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS HCAR2 3659/4885CCNE1 1903/4885CDK2 1140/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 HCAR2 1220/4885CCNE1 1476/4885CDK2 96/4885
US-11732005-B2 Peptidomimetic proteasome inhibitors PSMB1, PSMB3, PSMB11 HCAR2 4578/4885CCNE1 1128/4885CDK2 1536/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS HCAR2 3659/4885CCNE1 1903/4885CDK2 1140/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS HCAR2 3659/4885CCNE1 1903/4885CDK2 1140/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS HCAR2 3659/4885CCNE1 1903/4885CDK2 1140/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS HCAR2 3659/4885CCNE1 1903/4885CDK2 1140/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS HCAR2 3659/4885CCNE1 1903/4885CDK2 1140/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS HCAR2 3659/4885CCNE1 1903/4885CDK2 1140/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 HCAR2 1220/4885CCNE1 1476/4885CDK2 96/4885

“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.

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