SCHEMBL1410217

SCHEMBL1410217

CCC(=CC1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)S1(=O)=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.37
▸ EPHX2 P34913 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ TACR1 P25103 4/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CACNA1I Q9P0X4 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 0.89 FFAR4 (0.37) FFAR4EPHX2DPP4TACR1NOTUM
SCHEMBL14300690 0.78 FFAR4 (0.38) FFAR4NOTUMUSP2HIF1A
SCHEMBL14300692 0.78 FFAR4 (0.38) FFAR4NOTUMUSP2HIF1A
SCHEMBL1410097 0.77 ADRB1 (0.37) FFAR4DPP4NOTUMHIF1A
SCHEMBL1410213 0.76 ALDH1A1 (0.36) FFAR4TACR1KMT2AUSP2
SCHEMBL1410260 0.74 FFAR4 (0.44) FFAR4DPP4TACR1NOTUM
SCHEMBL1410145 0.70 ALDH1A1 (0.37) FFAR4DPP4TACR1KMT2AUSP2
SCHEMBL1410214 0.69 FFAR4 (0.37) FFAR4DPP4TACR1NOTUMHIF1A
SCHEMBL14300689 0.68 FFAR4 (0.38) FFAR4NOTUMUSP2HIF1A
SCHEMBL14300691 0.68 FFAR4 (0.38) FFAR4NOTUMUSP2HIF1A

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 4589/4885EPHX2 254/4885DPP4 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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