SCHEMBL4130689

SCHEMBL4130689

CN(Cc1cc(-c2ccccc2C#N)c(S(=O)(=O)c2cccnc2)s1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.39
NAMPT P43490 2/20 0.38
PTGER2 P43116 3/20 0.35
SLC22A12 Q96S37 4/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.32
PTGS2 P35354 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CTSA P10619 1/20 0.32

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
SCHEMBL4132659 0.86 NAMPT (0.39) NAMPTPTGER2LMNAALDH1A1KMT2A
SCHEMBL3782033 0.84 NAMPT (0.37) GPBAR1NAMPTPTGER2LMNAALDH1A1
SCHEMBL3654305 0.84 GPBAR1 (0.35) GPBAR1NAMPTPTGER2CYP1A2CYP3A4
SCHEMBL4130745 0.83 GPBAR1 (0.40) GPBAR1NAMPTPTGER2LMNAALDH1A1
SCHEMBL3654310 0.83 GPBAR1 (0.34) GPBAR1NAMPTPTGER2SLC22A12CYP1A2
SCHEMBL4127140 0.82 NAMPT (0.33) NAMPTLMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4130844 0.82 CYP1A2 (0.39) GPBAR1SLC22A12CYP1A2CYP3A4ALDH1A1
SCHEMBL4130696 0.82 SLC22A12 (0.36) GPBAR1NAMPTSLC22A12CYP1A2CYP3A4
SCHEMBL4125901 0.78 NAMPT (0.35) NAMPTALDH1A1
SCHEMBL4138201 0.77 GPBAR1 (0.37) GPBAR1NAMPTLMNAALDH1A1

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 GPBAR1 52/4885NAMPT 2129/4885PTGER2 1424/4885

“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.