SCHEMBL4125865

SCHEMBL4125865

CN(Cc1cc(-c2cccnc2F)c(S(=O)(=O)c2cccc(CO)c2)s1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
IDH2 P48735 1/20 0.32
LIPG Q9Y5X9 2/20 0.32
NAMPT P43490 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GFER P55789 1/20 0.31
ADAMTS4 O75173 1/20 0.31
HSD17B2 P37059 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3649326 0.90 HTR6 (0.39) LIMK2ALDH1A1
SCHEMBL4125901 0.90 NAMPT (0.35) LIMK2IDH2LIPGNAMPTHDAC3
SCHEMBL3654891 0.88 ATM (0.34) IDH2LIPGNAMPTALDH1A1KDM4E
SCHEMBL3647318 0.88 GLS (0.34) RXFP1LIPG
SCHEMBL4120645 0.86 NFE2L2 (0.41) LIMK2NAMPTHSD17B2KMT2A
SCHEMBL4120130 0.86 C1S (0.32) IDH2LIPG
SCHEMBL3782033 0.86 NAMPT (0.37) NAMPTCA12CA1CA2CA9
SCHEMBL4117657 0.86 GPBAR1 (0.33) IDH2LIPGNAMPT
SCHEMBL4120227 0.86 GLO1 (0.37)
SCHEMBL4117741 0.84 LIPG (0.31) IDH2LIPG

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 LIMK2 4499/4885RXFP1 2934/4885IDH2 3273/4885

“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.