SCHEMBL1409429

SCHEMBL1409429

CCC(C(=O)O)[S+]([O-])C1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.39
▸ MCHR1 Q99705 6/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ TACR1 P25103 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
SCHEMBL1410285 0.80 FFAR4 (0.41) FFAR4MCHR1CXCR3CA12CA1
SCHEMBL1410108 0.75 FFAR4 (0.37) FFAR4MCHR1AKR1C3AKR1C2HDAC1
SCHEMBL1410394 0.74 MCHR1 (0.37) FFAR4MCHR1AKR1C3AKR1C2CA12
SCHEMBL11747518 0.71 FFAR4 (0.42) FFAR4MCHR1CA12CA1CA2
SCHEMBL1410434 0.68 FFAR4 (0.43) FFAR4MCHR1CA12CA1CA2
SCHEMBL17244558 0.67 F9 (0.42) FFAR4HDAC1HDAC8HDAC6TACR1
SCHEMBL1409630 0.67 FFAR4 (0.42) FFAR4MCHR1CXCR3CA12CA1
SCHEMBL1410358 0.65 FFAR4 (0.48) FFAR4DPP4
SCHEMBL6522288 0.62 F9 (0.37) FFAR4AKR1C3AKR1C2TACR1
SCHEMBL1439301 0.62 F9 (0.37) FFAR4AKR1C3AKR1C2TACR1

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 4589/4885MCHR1 2194/4885CXCR3 593/4885

“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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