SCHEMBL1409630

SCHEMBL1409630

O=C(O)CS(=O)(=O)C1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.42
▸ MCHR1 Q99705 2/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL1410394 0.78 MCHR1 (0.37) FFAR4MCHR1CA12CA1CA2
SCHEMBL11747518 0.75 FFAR4 (0.42) FFAR4MCHR1CA12CA1CA2
SCHEMBL1410434 0.74 FFAR4 (0.43) FFAR4MCHR1CA12CA1CA2
SCHEMBL1409510 0.74 FFAR4 (0.48) FFAR4TACR1KMT2APTPN11CNR1
SCHEMBL1410285 0.72 FFAR4 (0.41) FFAR4MCHR1CA12CA1CA2
SCHEMBL1410108 0.68 FFAR4 (0.37) FFAR4MCHR1HDAC1HDAC8HDAC6
SCHEMBL1409429 0.67 FFAR4 (0.39) FFAR4MCHR1CA12CA1CA2
SCHEMBL630384 0.66 NOTUM (0.50) MCHR1CA12CA1CA2CA9
SCHEMBL1410364 0.64 DRD2 (0.50) FFAR4LMNAHDAC1
SCHEMBL17244558 0.63 F9 (0.42) FFAR4TACR1KMT2AHDAC1HDAC8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 — — EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 — — US disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 — — US disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 — — US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 — — EP disclosed
WO-2009145286-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-12-03 — — WO 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 2194/4885CA12 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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