SCHEMBL4135832

SCHEMBL4135832

CN(Cc1cc(S(=O)(=O)c2ccccc2)n(-c2cccnc2Cl)n1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.36
SLC16A1 P53985 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
APOBEC3A P31941 1/20 0.35
NAMPT P43490 1/20 0.34
HTR6 P50406 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SLC12A2 P55011 1/20 0.33
SLC12A5 Q9H2X9 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
FAAH O00519 3/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
RAB9A P51151 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
SCHEMBL4126123 0.89 NAMPT (0.35) SLC16A3SLC16A1ALDH1A1NAMPTHTR6
SCHEMBL4131220 0.86 SMO (0.35) SLC16A3SLC16A1ALDH1A1NAMPTHTR6
SCHEMBL4137765 0.85 NAMPT (0.33) SLC16A3SLC16A1ALDH1A1NAMPTHTR6
SCHEMBL3695806 0.84 CA1 (0.40) SLC16A3SLC16A1NAMPTHTR6PTGDR2
SCHEMBL4125769 0.84 SLC16A3 (0.39) SLC16A3SLC16A1CNR1
SCHEMBL4126098 0.83 NAMPT (0.39) SLC16A3SLC16A1NAMPTLMNACNR1
SCHEMBL476388 0.83 PKM (0.38) HTR6PTGDR2PKM
SCHEMBL4126573 0.82 SLC16A3 (0.46) SLC16A3SLC16A1ALDH1A1APOBEC3ALMNA
SCHEMBL3696121 0.82 HTR2C (0.41) SLC16A3SLC16A1RXFP1PTGDR2
SCHEMBL3702686 0.82 HTR6 (0.40) HTR6

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 SLC16A3 2809/4885SLC16A1 2925/4885RXFP1 2934/4885

“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.