SCHEMBL4135836

SCHEMBL4135836

O=C(O)NCCc1cc(S(=O)(=O)c2ccccc2)n(-c2cccnc2Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
NAMPT P43490 6/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 2/20 0.35
TSHR P16473 1/20 0.35
PKM P14618 3/20 0.35
LMNA P02545 1/20 0.35
SLC12A2 P55011 1/20 0.35
SLC12A5 Q9H2X9 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CNR1 P21554 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX2 P34913 1/20 0.33
PTGS2 P35354 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
SCHEMBL4126131 0.88 HTT (0.37) HTTATMNAMPTALDH1A1L3MBTL1
SCHEMBL4131224 0.85 P2RX7 (0.38) HTTATMNAMPTALDH1A1L3MBTL1
SCHEMBL4137769 0.85 HTT (0.36) HTTATMNAMPTALDH1A1L3MBTL1
SCHEMBL3695806 0.84 CA1 (0.40) NAMPTPTGDR2RAB9APTGS2
SCHEMBL4125774 0.84 SMN1; SMN2 (0.36) NAMPTALDH1A1TSHRPKMLMNA
SCHEMBL4126103 0.83 ALDH1A1 (0.42) NAMPTALDH1A1CYP2C9TSHRSMN1; SMN2
SCHEMBL476390 0.82 HTT (0.39) HTTNAMPTALDH1A1TSHRPKM
SCHEMBL4126579 0.82 SLC16A3 (0.41) HTTALDH1A1PKMLMNASLC12A2
SCHEMBL4120239 0.81 HTR6 (0.40) NAMPTALDH1A1L3MBTL1PTGDR2
SCHEMBL4135079 0.81 SLC16A3 (0.37) HTTATMALDH1A1L3MBTL1PKM

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 HTT 3967/4885ATM 4850/4885NAMPT 2129/4885

“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.