SCHEMBL17491542

SCHEMBL17491542

FC(F)(F)c1cc(Br)c2c(c1)NCCO2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.40
▸ EGFR P00533 2/20 0.37
▸ S1PR1 P21453 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RET P07949 1/20 0.32
▸ ADRB1 P08588 1/20 0.30
▸ HTR1A P08908 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
SCHEMBL24254608 0.78 ADRA2A (0.37) AREGFRALDH1A1GAAMAPT
SCHEMBL4475523 0.75 ALDH1A1 (0.35) AREGFRALDH1A1GAAMAPT
SCHEMBL30017647 0.75 ALDH1A1 (0.35) AREGFRALDH1A1GAAMAPT
SCHEMBL4481502 0.75 ALDH1A1 (0.50) AREGFRALDH1A1GAAMAPT
SCHEMBL30412014 0.72 AR (0.39) AREGFRALDH1A1GAAMAPT
SCHEMBL17491410 0.71 S1PR1 (0.37) ARS1PR1ALDH1A1MAPTADRB1
SCHEMBL17027005 0.71 AR (0.32) AR
SCHEMBL3118100 0.70 MAPT (0.57) AREGFRALDH1A1GAAMAPT
SCHEMBL1191144 0.69 EGFR (0.40) AREGFRALDH1A1GAAMAPT
SCHEMBL29620781 0.68 ALDH1A1 (0.35) AREGFRALDH1A1GAAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982670-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-07 — — EP disclosed
US-9624184-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-18 — — US disclosed
US-20160052897-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-25 — — US disclosed
EP-2982670-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP 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-20160052897-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 AR 3655/4885EGFR 4863/4885S1PR1 2645/4885

“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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