SCHEMBL27215643

SCHEMBL27215643

O=C(NCCCN(CCCS(=O)(=O)O)C(=O)c1ccc2cc(-c3cc4ccc(F)cc4oc3=O)oc2c1)C1=CC=CC=CC=C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B10 O60218 4/20 0.34
▸ AKR1B1 P15121 4/20 0.34
▸ AKR1A1 P14550 1/20 0.34
▸ CBR1 P16152 1/20 0.34
▸ AKR1C4 P17516 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ STS P08842 1/20 0.33
▸ SRD5A1 P18405 1/20 0.31
▸ SRD5A2 P31213 1/20 0.31
▸ PTPN7 P35236 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 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
SCHEMBL30350005 0.93 STS (0.34) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL28977517 0.93 STS (0.34) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL24240022 0.93 STS (0.34) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL24240023 0.83 ITGB3 (0.33) SRD5A1SRD5A2
SCHEMBL24240040 0.74 MAPT (0.36) SRD5A1SRD5A2TP53POLB
SCHEMBL24240017 0.68 MIF (0.51) STSSRD5A1SRD5A2PTPN7TP53
SCHEMBL25997466 0.63 RAB9A (0.37) TP53POLB
SCHEMBL25438806 0.62 SMN1; SMN2 (0.35) —
SCHEMBL30350030 0.60 MAOB (0.54) AKR1B1TP53POLB
SCHEMBL24239998 0.60 MAOB (0.54) AKR1B1TP53POLB

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-11981964-B2 Substituted coumarin dyes and uses as fluorescent labels ILLUMINA CAMBRIDGE LIMITED (GB) 2024-05-14 — — 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-11981964-B2 Substituted coumarin dyes and uses as fluorescent labels FBL, DUT, PHAX AKR1B10 1273/4885AKR1B1 1231/4885AKR1A1 1762/4885

“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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