SCHEMBL27268622

SCHEMBL27268622

CCCCOCC1CB(O)Oc2c1ccc(F)c2C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAT P04040 1/20 0.45
▸ PTPN1 P18031 1/20 0.34
▸ RARB P10826 2/20 0.34
▸ RARA P10276 1/20 0.34
▸ NCEH1 Q6PIU2 1/20 0.34
▸ HRH2 P25021 1/20 0.31
▸ PLK1 P53350 2/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ PLK3 Q9H4B4 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
SCHEMBL21503793 0.82 CAT (0.46) CAT
SCHEMBL21497088 0.80 CAT (0.54) CAT
SCHEMBL21497090 0.80 CAT (0.54) CAT
SCHEMBL21497092 0.80 CAT (0.54) CAT
SCHEMBL21497091 0.71 CA1 (0.40) CATALDH1A1POLB
SCHEMBL27268440 0.70 CAT (0.37) CAT
SCHEMBL21012603 0.70 CAT (0.64) CAT
SCHEMBL21497097 0.70 CA1 (0.37) POLB
SCHEMBL27268842 0.70 CA9 (0.41) CATALDH1A1POLBTSHR
SCHEMBL27268429 0.68 CAT (0.37) CAT

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-12016868-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2024-06-25 — — 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-12016868-B2 Boronic acid derivatives and therapeutic uses thereof BCL6B, BCL6, BTD CAT 108/4885PTPN1 1423/4885RARB 382/4885

“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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