SCHEMBL1410617

SCHEMBL1410617

O=C(O)CSC1CCN(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.63
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ POLB P06746 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SLC6A9 P48067 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ACACB O00763 2/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45

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) NOTUMPOLBCYP2C9CYP2C19
SCHEMBL12210016 0.81 LIPG (0.47) NOTUM
SCHEMBL1410265 0.80 NOTUM (0.65) NOTUMSLC6A9
SCHEMBL30227224 0.80 NOTUM (0.65) NOTUMSLC6A9
SCHEMBL1410458 0.80 LIPG (0.46) NOTUM
SCHEMBL1410243 0.79 NOTUM (0.57) NOTUMALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL1410444 0.79 NOTUM (0.64) NOTUMSLC6A9
SCHEMBL1410310 0.79 NOTUM (0.66) NOTUMALDH1A1POLBNPSR1HTT
SCHEMBL25170450 0.78 NOTUM (1.00) NOTUMPOLB
SCHEMBL29957216 0.78 NOTUM (1.00) NOTUMPOLB

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 10 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
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 NOTUM 874/4885ALDH1A1 270/4885MAPT 3305/4885

“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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