SCHEMBL1409680

SCHEMBL1409680

CN(c1cc(Br)cc(C(F)(F)F)c1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
ACP1 P24666 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KIF11 P52732 1/20 0.37
TACR1 P25103 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
DDR1 Q08345 1/20 0.32
HTT P42858 2/20 0.32
SERPINE1 P05121 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL30633566 0.85 NOTUM (0.41) NOTUMACP1KIF11TACR1CA1
SCHEMBL30503556 0.78 NOTUM (0.43) NOTUMACP1TACR1XPO1TAS2R14
SCHEMBL6815372 0.78 NOTUM (0.43) NOTUMACP1TACR1XPO1TAS2R14
SCHEMBL12313353 0.75 NR1H3 (0.50) PTGDR2SMN1; SMN2CA1CA2HTT
SCHEMBL1410175 0.73 NOTUM (0.47) NOTUMACP1SMN1; SMN2TACR1TAS2R14
SCHEMBL12436182 0.72 NOTUM (0.46) NOTUMACP1TACR1TAS2R14P2RX1
SCHEMBL12098234 0.72 NOTUM (0.49) NOTUMACP1PTGDR2KIF11CA1
SCHEMBL30253146 0.72 NOTUM (0.49) NOTUMACP1PTGDR2KIF11CA1
SCHEMBL3598487 0.70 ALDH1A1 (0.38) SMN1; SMN2HTTMEN1ALDH1A1MAPK1
SCHEMBL25326571 0.69 NOTUM (0.46) NOTUMACP1KIF11CA1CA2

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 NOTUM 874/4885ACP1 4643/4885PTGDR2 2222/4885

“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.