SCHEMBL25937342

SCHEMBL25937342

COc1cccc(OCC2CC2C(=O)O)c1Br

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.52
CA1 P00915 10/20 0.50
CA2 P00918 10/20 0.50
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50

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
SCHEMBL30800464 1.00 FFAR4 (0.52) FFAR4CA1CA2CA12CA9
SCHEMBL30800453 0.85 CA1 (0.54) FFAR4CA1CA2CA12CA9
SCHEMBL25937345 0.85 CA1 (0.54) FFAR4CA1CA2CA12CA9
SCHEMBL13735854 0.78 FFAR4 (0.52) FFAR4
SCHEMBL13735856 0.78 FFAR4 (0.52) FFAR4
SCHEMBL30101551 0.73 KDM1A (0.38)
SCHEMBL25937339 0.73 KDM1A (0.38)
SCHEMBL17061175 0.73 POLB (0.69) CA1CA2CA12CA9
SCHEMBL10288771 0.73 FFAR4 (0.74) FFAR4
SCHEMBL10254312 0.73 FFAR4 (0.74) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715905-A Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2024-03-15 CN disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 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 (2 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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 FFAR4 4839/4885CA1 4024/4885CA2 4129/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 FFAR4 4839/4885CA1 4024/4885CA2 4129/4885

“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.