SCHEMBL4125768

SCHEMBL4125768

O=C(O)NCCc1cc(S(=O)(=O)c2cccc(Br)c2)n(-c2cc(F)ccc2F)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
KAT6A Q92794 2/20 0.34
GPR183 P32249 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
CNR1 P21554 3/20 0.33
CXCR2 P25025 1/20 0.33
RIPK1 Q13546 1/20 0.33
NAMPT P43490 1/20 0.32
EPHX2 P34913 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.32
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL4125917 0.91 HTR2A (0.36) CNR1RIPK1EPHX2PTGS2CNR2
SCHEMBL4137822 0.87 HTR2A (0.39) KAT6ACXCR2NAMPT
SCHEMBL4126977 0.85 NAMPT (0.38) ATMNAMPTEPHX2
SCHEMBL18258908 0.85 NAMPT (0.35) ATMKAT6ANAMPTEPHX2PTGS2
SCHEMBL4125459 0.83 ATM (0.36) ATMEGFRERBB2CNR1NAMPT
SCHEMBL3700717 0.82 KMT2A (0.34) ATMKAT6AGPR183EGFRERBB2
SCHEMBL4125960 0.82 NAMPT (0.38) CNR1NAMPTPTGS2
SCHEMBL3812573 0.81 KCNQ3 (0.36) CNR1RIPK1NAMPTCNR2NPC1
SCHEMBL3705626 0.80 KAT6A (0.34) ATMKAT6AGPR183EGFRERBB2
SCHEMBL4120959 0.80 MAPT (0.34) CNR1RIPK1MAPTCNR2NPC1

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 ATM 4850/4885KAT6A 4058/4885GPR183 1400/4885

“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.