SCHEMBL1410394

SCHEMBL1410394

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.37
▸ FFAR4 Q5NUL3 6/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL1409630 0.78 FFAR4 (0.42) MCHR1FFAR4CA12CA1CA2
SCHEMBL1410108 0.75 FFAR4 (0.37) MCHR1FFAR4AKR1C3AKR1C2CCR2
SCHEMBL1409429 0.74 FFAR4 (0.39) MCHR1FFAR4CA12CA1CA2
SCHEMBL11747518 0.71 FFAR4 (0.42) MCHR1FFAR4CA12CA1CA2
SCHEMBL1410434 0.68 FFAR4 (0.43) MCHR1FFAR4CA12CA1CA2
SCHEMBL1410285 0.66 FFAR4 (0.41) MCHR1FFAR4CA12CA1CA2
SCHEMBL1410358 0.65 FFAR4 (0.48) FFAR4CCR2DPP4
SCHEMBL1410154 0.65 LIPG (0.43) FFAR4
SCHEMBL17244558 0.65 F9 (0.42) FFAR4TACR1CCR2HDAC1HDAC8
SCHEMBL1410377 0.64 NOTUM (0.44) FFAR4CCR2DPP4CNR1

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 MCHR1 2194/4885FFAR4 4589/4885CA12 425/4885

“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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