SCHEMBL4125599

SCHEMBL4125599

CN(Cc1cc(-c2cccnc2F)c(S(=O)(=O)c2nccs2)s1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
LIPC P11150 1/20 0.32
AR P10275 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31
CASP6 P55212 1/20 0.30
IDH2 P48735 1/20 0.30

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
SCHEMBL3804721 0.87 ABCC9 (0.33) LIPGABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3804724 0.86 ABCC9 (0.33) LIPGABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4125901 0.86 NAMPT (0.35) LIPGLIPCSLC40A1IDH2
SCHEMBL3654891 0.85 ATM (0.34) LIPGLIPCIDH2
SCHEMBL4117657 0.84 GPBAR1 (0.33) LIPGLIPCARIDH2
SCHEMBL4127364 0.84 MAOA (0.36) LIPGABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4136581 0.84 CTSD (0.33) LIPGLIPCIDH2
SCHEMBL3782033 0.83 NAMPT (0.37) SLC40A1
SCHEMBL3649326 0.83 HTR6 (0.39)
Hydrochloric Acid SCHEMBL3652637 0.83 CYP2A6 (0.32) LIPGABCC9ABCC8KCNJ11KCNJ8

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 LIPG 2467/4885ABCC9 455/4885ABCC8 995/4885

“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.