SCHEMBL3700717

SCHEMBL3700717

CN(Cc1cc(S(=O)(=O)c2cccc(Br)c2)n(-c2cc(F)ccc2F)n1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
GPR183 P32249 1/20 0.33
KAT6A Q92794 2/20 0.32
HTR6 P50406 3/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
ATM Q13315 1/20 0.31
LIMK2 P53671 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL4125913 0.91 KMT2A (0.36) KMT2AHTR6HTR2AHTR2CSLC6A4
SCHEMBL3705663 0.87 DPP4 (0.37) KAT6AHTR2AHTR2C
SCHEMBL18258907 0.85 HTR6 (0.32) KMT2AKAT6AHTR6HTR2AHTR2C
SCHEMBL4126972 0.85 NAMPT (0.36) ALDH1A1
SCHEMBL3699218 0.83 SLC16A3 (0.36) KMT2A
SCHEMBL4125954 0.82 PTGS2 (0.35) KMT2AHTR2AHTR2CSLC6A4LIMK2
SCHEMBL4125768 0.82 ATM (0.35) GPR183KAT6AATMEGFRERBB2
SCHEMBL3812566 0.81 ALDH1A1 (0.38) KMT2AHTR2AHTR2CSLC6A4LIMK2
SCHEMBL3705626 0.80 KAT6A (0.34) GPR183KAT6AATMALDH1A1HPGD
SCHEMBL3702686 0.80 HTR6 (0.40) HTR6HTR2AHTR2C

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 5 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
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 KMT2A 4776/4885GPR183 1400/4885KAT6A 4058/4885

“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.