SCHEMBL1410377

SCHEMBL1410377

CC(C(=O)O)S(=O)(=O)C1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.44
▸ FFAR4 Q5NUL3 6/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ IDO1 P14902 1/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ NR1H2 P55055 2/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ TRPA1 O75762 3/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ CNR1 P21554 1/20 0.37

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
SCHEMBL1409510 0.78 FFAR4 (0.48) NOTUMFFAR4DPP4IDO1PTGDR
SCHEMBL1410358 0.73 FFAR4 (0.48) NOTUMFFAR4DPP4CCR2ACACB
SCHEMBL1410615 0.71 ACACB (0.45) NOTUMFFAR4DPP4ACACB
SCHEMBL1410200 0.70 DPP4 (0.45) NOTUMFFAR4DPP4ACACBADRB1
SCHEMBL1410206 0.69 FFAR4 (0.65) NOTUMFFAR4DPP4
SCHEMBL6498968 0.69 NOTUM (0.62) NOTUMFFAR4ADRB1
SCHEMBL1409363 0.69 DPP4 (0.50) NOTUMFFAR4DPP4ADRB1
SCHEMBL1409609 0.69 DPP4 (0.50) NOTUMFFAR4DPP4ADRB1
SCHEMBL1410372 0.69 DPP4 (0.50) NOTUMFFAR4DPP4ADRB1
SCHEMBL1409875 0.69 FFAR4 (0.54) NOTUMFFAR4DPP4ADRB1

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-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L NOTUM 874/4885FFAR4 4589/4885DPP4 1356/4885

“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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