SCHEMBL23026435

SCHEMBL23026435

C=C/C=C\C(=C/C=C)B(F)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ ENPP2 Q13822 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 1/20 0.30
▸ PCSK9 Q8NBP7 1/20 0.30
▸ ORAI1 Q96D31 1/20 0.30
▸ ORAI2 Q96SN7 1/20 0.30
▸ ORAI3 Q9BRQ5 1/20 0.30
▸ TRPV6 Q9H1D0 1/20 0.30

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
SCHEMBL23219892 0.81 PCSK9 (0.35) CA4CA6CA5ACA7ENPP2
SCHEMBL21778882 0.73 — —
SCHEMBL23570765 0.71 CA4 (0.32) CA4CA6CA5ACA7ENPP2
SCHEMBL19772388 0.70 PCSK9 (0.35) CA4CA6CA5ACA7ENPP2
SCHEMBL14923047 0.67 PCSK9 (0.35) CA4CA6CA5ACA7ENPP2
SCHEMBL20031926 0.66 PCSK9 (0.34) CA4CA6CA5ACA7ENPP2
SCHEMBL21033784 0.64 AKT1 (0.39) —
SCHEMBL24495846 0.64 TLR9 (0.31) —
SCHEMBL19380674 0.64 — —
SCHEMBL23219870 0.64 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052614-A1 BORON-CONTAINING SMALL MOLECULES FOR INHIBITING ACTIVITY OF A RECEPTOR-LIKE PROTEIN TYROSINE PHOSPHATASE COLD SPRING HARBOR LABORATORY 2021-02-25 — — 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 (1 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-20210052614-A1 BORON-CONTAINING SMALL MOLECULES FOR INHIBITING ACTIVITY OF A RECEPTOR-LIKE PROTEIN TYROSINE PHOSPHATASE PTPRO, PTPRR, PPP1R1B CA4 2181/4885CA6 1213/4885CA5A 503/4885

“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.

Send feedback