SCHEMBL1410202

SCHEMBL1410202

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.42
▸ KHK P50053 1/20 0.40
▸ FFAR4 Q5NUL3 4/20 0.39
▸ NOTUM Q6P988 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RBP4 P02753 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ ACACB O00763 2/20 0.36
▸ CCR2 P41597 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
SCHEMBL1410703 0.86 FFAR4 (0.47) DPP4FFAR4NOTUMMEN1KMT2A
SCHEMBL12809867 0.80 DPP4 (0.46) DPP4FFAR4NOTUMMAPTRBP4
SCHEMBL1409379 0.79 FFAR4 (0.49) DPP4FFAR4NOTUM
SCHEMBL1410200 0.72 DPP4 (0.45) DPP4FFAR4NOTUMRBP4ACACB
SCHEMBL1410170 0.70 DPP4 (0.47) DPP4KHKFFAR4NOTUMRBP4
SCHEMBL29141963 0.69 ACACB (0.47) DPP4FFAR4NOTUMACACB
SCHEMBL1409875 0.69 FFAR4 (0.54) DPP4KHKFFAR4NOTUMRBP4
SCHEMBL1410617 0.68 NOTUM (0.63) NOTUMMAPTACACBMEN1KMT2A
SCHEMBL1410206 0.67 FFAR4 (0.65) DPP4KHKFFAR4NOTUMRBP4
SCHEMBL25228830 0.67 TSHR (0.48) MAPTMEN1KMT2A

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 4 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-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

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 DPP4 1356/4885KHK 2373/4885FFAR4 4589/4885

“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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