SCHEMBL16331968

SCHEMBL16331968

CS(=O)(=O)CCn1ccc(Br)n1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM1A O60341 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL29276882 0.81
SCHEMBL2661186 0.80 ALDH1A1 (0.41) RORCMEN1KMT2AL3MBTL1KDM1A
SCHEMBL24181745 0.75
SCHEMBL28175233 0.73 NPC1 (0.50) RORCL3MBTL1KDM1A
SCHEMBL2660805 0.73 ALDH1A1 (0.45) MEN1GAAKMT2A
SCHEMBL25181261 0.71
SCHEMBL23632983 0.70 IRAK4 (0.41) MEN1GAAMAPTKMT2AL3MBTL1
SCHEMBL28884071 0.70
SCHEMBL31637679 0.68 CSNK2A2 (0.41)
SCHEMBL31176818 0.68 HPGD (0.41) MEN1GAAMAPTKMT2AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085578-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-21 US disclosed
US-20150045349-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED 2015-02-12 US disclosed
EP-2818473-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-31 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-20150045349-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA RORC 232/4885MEN1 1167/4885GAA 3898/4885

“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.