SCHEMBL1410214

SCHEMBL1410214

CC/C(=C\C(=O)O)C1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)S1(O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.37
▸ DPP4 P27487 1/20 0.33
▸ TACR1 P25103 5/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ NR4A1 P22736 1/20 0.31
▸ NR4A2 P43354 1/20 0.31
▸ NR4A3 Q92570 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CACNA1I Q9P0X4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1410216 0.76 FFAR4 (0.37) FFAR4DPP4TACR1NOTUMHIF1A
SCHEMBL14300689 0.73 FFAR4 (0.38) FFAR4NOTUMPOLBHIF1AHSD17B10
SCHEMBL14300691 0.73 FFAR4 (0.38) FFAR4NOTUMPOLBHIF1AHSD17B10
SCHEMBL1410258 0.72 FFAR4 (0.44) FFAR4DPP4TACR1NOTUM
SCHEMBL1410217 0.69 FFAR4 (0.37) FFAR4DPP4TACR1NOTUMHIF1A
SCHEMBL1410142 0.68 ALDH1A1 (0.37) FFAR4DPP4POLBMAPTALDH1A1
SCHEMBL14300690 0.66 FFAR4 (0.38) FFAR4NOTUMPOLBHIF1AHSD17B10
SCHEMBL14300692 0.66 FFAR4 (0.38) FFAR4NOTUMPOLBHIF1AHSD17B10
SCHEMBL1410260 0.65 FFAR4 (0.44) FFAR4DPP4TACR1NOTUM
SCHEMBL1410213 0.63 ALDH1A1 (0.36) FFAR4TACR1ALDH1A1HSP90AA1ALOX15

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 FFAR4 4589/4885DPP4 1356/4885TACR1 174/4885

“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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