SCHEMBL21169229

SCHEMBL21169229

CCC(CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CTSK P43235 4/20 0.50
CTSS P25774 3/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 1/20 0.50
CAPN1 P07384 1/20 0.50
AAK1 Q2M2I8 4/20 0.49
CYP2D6 P10635 1/20 0.44
SYK P43405 1/20 0.44

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
SCHEMBL5262474 1.00 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL15250454 1.00 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL19227630 0.91 CA1 (0.58) CA1CA2CA7CTSKCTSS
SCHEMBL16591738 0.88 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL12336373 0.88 CA1 (0.47) CA1CA2CA7CTSKCTSS
SCHEMBL9911449 0.87 CA1 (0.52) CA1CA2CA7CTSKCTSS
SCHEMBL8560322 0.86 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL8561571 0.86 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL1059380 0.86 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL272780 0.86 CA1 (0.53) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 CA1 4594/4885CA2 4462/4885CA7 4420/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CA1 4238/4885CA2 4222/4885CA7 3820/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CA1 4238/4885CA2 4222/4885CA7 3820/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS CA1 4870/4885CA2 4606/4885CA7 4386/4885

“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.