SCHEMBL1410703

SCHEMBL1410703

O=C(O)CCSC1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.47
▸ NOTUM Q6P988 6/20 0.44
▸ DPP4 P27487 1/20 0.42
▸ PTPN11 Q06124 1/20 0.40
▸ ADRB1 P08588 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL1409379 0.88 FFAR4 (0.49) FFAR4NOTUMDPP4PTPN11ADRB1
SCHEMBL1410202 0.86 DPP4 (0.42) FFAR4NOTUMDPP4MEN1KMT2A
SCHEMBL12809867 0.81 DPP4 (0.46) FFAR4NOTUMDPP4ADRB1
SCHEMBL1409875 0.80 FFAR4 (0.54) FFAR4NOTUMDPP4PTPN11ADRB1
SCHEMBL1410200 0.78 DPP4 (0.45) FFAR4NOTUMDPP4ADRB1POLB
SCHEMBL1410617 0.76 NOTUM (0.63) NOTUMLMNAPOLBCYP2C9CYP2C19
SCHEMBL1410206 0.76 FFAR4 (0.65) FFAR4NOTUMDPP4
SCHEMBL1409535 0.72 FFAR4 (0.52) FFAR4NOTUMDPP4
SCHEMBL1410218 0.72 FFAR4 (0.52) FFAR4NOTUMDPP4
SCHEMBL1410475 0.72 FFAR4 (0.52) FFAR4NOTUMDPP4

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 4589/4885NOTUM 874/4885DPP4 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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