SCHEMBL4132668

SCHEMBL4132668

CN(Cc1cc(-c2cccc(CO)c2F)c(S(=O)(=O)c2ccccc2)s1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.33
LIMK2 P53671 2/20 0.33
C1S P09871 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GFER P55789 1/20 0.32
TYMS P04818 2/20 0.32
KMT2A Q03164 2/20 0.31
HSD17B2 P37059 1/20 0.31
MEN1 O00255 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
SCHEMBL3647494 0.89 GLS (0.35) KAT6AC1S
SCHEMBL4130264 0.87 LIMK2 (0.33) KAT6ALIMK2ALDH1A1CA12CA1
SCHEMBL3647498 0.86 C1S (0.33) KAT6AC1S
SCHEMBL3653744 0.82 ADRB2 (0.35) KAT6AC1SALDH1A1KDM4ECA2
SCHEMBL4125901 0.82 NAMPT (0.35) LIMK2ALDH1A1GFER
SCHEMBL4132674 0.81 AKR1C3 (0.37) KAT6AC1STYMSKMT2A
SCHEMBL4125865 0.78 LIMK2 (0.33) LIMK2ALDH1A1KDM4ECA12CA1
SCHEMBL3646767 0.78 GLS (0.34)
SCHEMBL3655896 0.78 KAT6A (0.42) KAT6ALIMK2HSD17B2
SCHEMBL3647496 0.78 KAT6A (0.32) KAT6AC1SKMT2AMEN1

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 KAT6A 4058/4885LIMK2 4499/4885C1S 1997/4885

“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.