SCHEMBL19105016

SCHEMBL19105016

Cc1c(F)c(F)c(F)c(OC(=O)CCC(C)C)c1F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 8/20 0.43
▸ TAS1R1 Q7RTX1 8/20 0.43
▸ TAS1R2 Q8TE23 8/20 0.43
▸ CA1 P00915 2/20 0.34
▸ PTPN1 P18031 1/20 0.32
▸ GSTO1 P78417 1/20 0.32

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
SCHEMBL11915912 0.91 CA1 (0.40) TAS1R3TAS1R1TAS1R2CA1PTPN1
SCHEMBL12018037 0.79 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2
SCHEMBL30186582 0.78 KMT2A (0.33) —
SCHEMBL24917037 0.78 KMT2A (0.39) TAS1R3TAS1R1TAS1R2
SCHEMBL19105012 0.76 KDM4E (0.37) TAS1R3TAS1R1TAS1R2CA1PTPN1
SCHEMBL24916959 0.75 MEN1 (0.31) —
SCHEMBL8003191 0.75 KMT2A (0.41) CA1
SCHEMBL19117101 0.75 TSHR (0.33) —
SCHEMBL24629347 0.74 TAS1R3 (0.31) TAS1R3TAS1R1TAS1R2
SCHEMBL21533163 0.73 HTR2C (0.38) —

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-9862682-B2 Functionalized pegylated cyanine compounds, pharmaceutical compositions, and methods of use thereof BroadPharm (US) 2018-01-09 — — US disclosed
US-20170197916-A1 FUNCTIONALIZED PEGYLATED CYANINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF BroadPharm (US) 2017-07-13 — — 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-20170197916-A1 FUNCTIONALIZED PEGYLATED CYANINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ABL1, EGFR, ALB TAS1R3 2109/4885TAS1R1 1920/4885TAS1R2 2620/4885

“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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