SCHEMBL17464422

SCHEMBL17464422

O=c1c(C(O)O)c[nH]c2cccc(C(F)(F)F)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CES1 P23141 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ CFTR P13569 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
SCHEMBL27847428 0.77 GPR84 (0.40) CTNNB1WNT3AKDM4ESMN1; SMN2HSD17B10
SCHEMBL1353154 0.77 CYP1A2 (0.51) CTNNB1WNT3AKDM4ESMN1; SMN2HSD17B10
SCHEMBL12606659 0.75 CTNNB1 (0.42) CTNNB1WNT3AKDM4ESMN1; SMN2HSD17B10
SCHEMBL29464955 0.75 ALDH1A1 (0.46) CTNNB1WNT3AKDM4EHSD17B10MEN1
SCHEMBL12606661 0.75 PBRM1 (0.46) CTNNB1WNT3AKDM4EHSD17B10MEN1
SCHEMBL11793589 0.71 CTNNB1 (0.49) CTNNB1WNT3AKDM4EMEN1KMT2A
SCHEMBL11793596 0.71 CTNNB1 (0.49) CTNNB1WNT3AKDM4EHSD17B10MEN1
SCHEMBL1350659 0.70 KDM4E (0.67) CTNNB1WNT3AKDM4EHSD17B10MEN1
SCHEMBL27387168 0.69 GPR84 (0.44) CTNNB1WNT3AKDM4ESMN1; SMN2HSD17B10
SCHEMBL3676142 0.69 CYP2A6 (0.58) CTNNB1WNT3AAXLKIF11

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-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 — — US disclosed
US-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof VERTEX PHARMACEUTICALS INCORPORATED 2016-01-28 — — 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-20160022665-A2 Pharmaceutical Compositions and Administrations Thereof CFTR, ABCB11, SLC26A4 CTNNB1 3628/4885WNT3A 2465/4885KDM4E 4080/4885

“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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