SCHEMBL4131245

SCHEMBL4131245

O=C(O)NCCc1nc(-c2cccnc2F)c(S(=O)(=O)c2cccnc2)s1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
NAMPT P43490 7/20 0.34
POLB P06746 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
LIPG Q9Y5X9 2/20 0.33
SLC40A1 Q9NP59 1/20 0.33
LIPC P11150 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL4139211 0.92 LIPG (0.36) NAMPTLIPGSLC40A1LIPC
SCHEMBL4132297 0.90 KMT2A (0.39) ALDH1A1NAMPTPOLB
SCHEMBL4125989 0.88 GAA (0.36) ALDH1A1NAMPT
SCHEMBL4127584 0.88 HTR6 (0.35) ALDH1A1NAMPTLIPGLIPC
SCHEMBL4125431 0.86 DHODH (0.36) NAMPTSLC40A1
SCHEMBL4118456 0.85 LIPG (0.33) LIPGSLC40A1LIPC
SCHEMBL4137731 0.84 NFE2L2 (0.38) NAMPTABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4130442 0.83 KMT2A (0.38) ALDH1A1NAMPT
SCHEMBL4131238 0.82 NAMPT (0.37) NAMPTPOLBABCC9ABCC8KCNJ11
SCHEMBL3651410 0.82 MAPT (0.36) ALDH1A1NAMPTABCC9ABCC8KCNJ11

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 ALDH1A1 1497/4885NAMPT 2129/4885POLB 4579/4885

“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.