SCHEMBL1410285

SCHEMBL1410285

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.41
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ MCHR1 Q99705 5/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ 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
SCHEMBL1409429 0.80 FFAR4 (0.39) FFAR4HDAC1HDAC8HDAC6CA12
SCHEMBL1410402 0.75 FFAR4 (0.47) FFAR4NOTUMPOLBCYP2C9CYP2C19
SCHEMBL11747518 0.74 FFAR4 (0.42) FFAR4HDAC1HDAC8HDAC6CA12
SCHEMBL1410434 0.73 FFAR4 (0.43) FFAR4HDAC1HDAC8HDAC6CA12
SCHEMBL1409630 0.72 FFAR4 (0.42) FFAR4HDAC1HDAC8HDAC6CA12
SCHEMBL1410108 0.67 FFAR4 (0.37) FFAR4HDAC1HDAC8HDAC6NOTUM
SCHEMBL1410394 0.66 MCHR1 (0.37) FFAR4HDAC1HDAC8HDAC6CA12
SCHEMBL17244558 0.65 F9 (0.42) FFAR4HDAC1HDAC8HDAC6NOTUM
SCHEMBL630384 0.65 NOTUM (0.50) CA12CA1CA2CA9NOTUM
SCHEMBL1410364 0.63 DRD2 (0.50) FFAR4HDAC1

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 4589/4885HDAC1 68/4885HDAC8 54/4885

“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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