SCHEMBL23374384

SCHEMBL23374384

O=Nc1cc(CC(F)(F)F)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.37
▸ IDO1 P14902 3/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ NR1H4 Q96RI1 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
SCHEMBL10284551 0.80 — —
SCHEMBL10284553 0.79 ALDH1A1 (0.30) —
SCHEMBL27738563 0.77 IDO1 (0.52) FDPSIDO1
SCHEMBL28218974 0.75 ALDH1A1 (0.36) EPHX2NR1H4
SCHEMBL20856571 0.72 TSHR (0.45) FDPSIDO1
SCHEMBL14256893 0.72 MEN1 (0.49) —
SCHEMBL15256594 0.71 TDP1 (0.37) IDO1
SCHEMBL27341065 0.70 MRGPRX4 (0.53) FDPS
SCHEMBL16959914 0.69 PIK3CA (0.41) FDPSIDO1
SCHEMBL20856347 0.69 ALDH1A1 (0.48) —

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-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2021-05-20 — — 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-20210147408-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP FDPS 4068/4885IDO1 945/4885EPHX2 4771/4885

“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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