SCHEMBL4131271

SCHEMBL4131271

CN(Cc1cc(Br)c(Sc2cccc(F)c2)s1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.41
SLC6A9 P48067 5/20 0.39
SCD5 Q86SK9 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.35
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
RIPK1 Q13546 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL4139232 0.88 HPGD (0.39) ARMEN1KMT2A
SCHEMBL3654959 0.85 AR (0.36) ARSLC6A9CLK1CLK2DYRK1A
SCHEMBL2837806 0.84 EDNRA (0.44) MEN1KMT2ACLK1DYRK1AHSD17B2
SCHEMBL3799456 0.84 SLC6A9 (0.34) ARSLC6A9RIPK1CA2CA4
SCHEMBL3799452 0.80 SLC6A9 (0.36) ARSLC6A9MEN1KMT2ACA2
SCHEMBL4131274 0.77 MTNR1A (0.41) CA2CA4
SCHEMBL3799450 0.75 CYP26A1 (0.34) SLC6A9CA2CA4
SCHEMBL4125110 0.74 AR (0.32) ARMEN1KMT2ADYRK1A
SCHEMBL3652849 0.74 HTR2C (0.41)
SCHEMBL4129164 0.74 HTR6 (0.38) ARSCD5MEN1KMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 AR 4556/4885SLC6A9 2476/4885SCD5 152/4885

“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.