SCHEMBL4132293

SCHEMBL4132293

CN(Cc1nc(-c2ccccc2F)c(S(=O)(=O)c2cccnc2)s1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
GPBAR1 Q8TDU6 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
HTR2C P28335 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
PTGER2 P43116 2/20 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
SCHEMBL4118507 0.91 CA12 (0.37) GAAKMT2ASMN1; SMN2LMNACA12
SCHEMBL4131238 0.91 NAMPT (0.37) NAMPTTP53POLBGPBAR1LMNA
SCHEMBL3654472 0.88 TP53 (0.35) NAMPTTP53POLBGAAKMT2A
SCHEMBL3654477 0.87 TP53 (0.37) NAMPTTP53POLBGAAKMT2A
SCHEMBL4135579 0.85 ALDH1A1 (0.43) NAMPTGAAKMT2ASMN1; SMN2CA12
SCHEMBL4139202 0.84 DHODH (0.35) NAMPTGAAKMT2ASMN1; SMN2LMNA
SCHEMBL4129175 0.84 KAT6A (0.37) TP53GAAKMT2ASMN1; SMN2LMNA
SCHEMBL4120389 0.83 HTR1A (0.33) NAMPTPOLBKMT2ALMNACA12
SCHEMBL3653735 0.83 TAS2R14 (0.39) GAATAS2R14
SCHEMBL4132297 0.81 KMT2A (0.39) NAMPTTP53POLBGAAKMT2A

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 NAMPT 2129/4885TP53 4668/4885POLB 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.