SCHEMBL23318052

SCHEMBL23318052

COC(=O)c1cccc(OCCCCCCCCNC(=O)OC(C)(C)C)c1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.49
PTPN22 Q9Y2R2 4/20 0.49
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
DRD2 P14416 3/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL18494972 0.93 CYP3A4 (0.45) PTPN1PTPN22CA12CA1CA2
SCHEMBL23318034 0.92 SCN9A (0.48) PTPN1PTPN22CA12CA1CA2
SCHEMBL17839814 0.90 PTPN1 (0.45) PTPN1PTPN22CA12CA1CA2
SCHEMBL29453445 0.90 PTPN1 (0.45) PTPN1PTPN22CA12CA1CA2
SCHEMBL17839574 0.90 PTPN1 (0.45) PTPN1PTPN22CA12CA1CA2
SCHEMBL29453449 0.90 PTPN1 (0.45) PTPN1PTPN22CA12CA1CA2
SCHEMBL19975481 0.90 CA12 (0.52) CA12CA1CA2CA9DRD2
SCHEMBL24172945 0.89 PTPN1 (0.46) PTPN1PTPN22CA12CA1CA2
SCHEMBL2892290 0.87 PTPN1 (0.61) PTPN1PTPN22
SCHEMBL20919631 0.85 CA12 (0.50) PTPN1PTPN22CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11505560-B2 Heterobifunctional compounds with improved specificity DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-11-22 US disclosed
US-20210130368-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITY DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-06 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-20210130368-A1 HETEROBIFUNCTIONAL COMPOUNDS WITH IMPROVED SPECIFICITY MDM2, STUB1, UBE3C PTPN1 2052/4885PTPN22 2617/4885CA12 4284/4885
US-11505560-B2 Heterobifunctional compounds with improved specificity MDM2, STUB1, UBE3C PTPN1 2052/4885PTPN22 2617/4885CA12 4284/4885

“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.