SCHEMBL4130106

SCHEMBL4130106

CN(Cc1cc(-c2cccnc2Cl)c(S(=O)(=O)c2cccc(F)c2)s1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.41
HTR6 P50406 5/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
LIMK2 P53671 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DHODH Q02127 1/20 0.34
EGFR P00533 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
SCHEMBL3649326 0.92 HTR6 (0.39) NFE2L2HTR6HTR2AHTR2CHTR7
SCHEMBL4138201 0.91 GPBAR1 (0.37) GPBAR1RXFP1
SCHEMBL4130745 0.87 GPBAR1 (0.40) NFE2L2GPBAR1RXFP1
SCHEMBL4125611 0.87 HTR6 (0.36) NFE2L2HTR6HTR2AHTR2CHTR7
SCHEMBL4125901 0.84 NAMPT (0.35) LIMK2DHODH
Hydrochloric Acid SCHEMBL3654116 0.83 HTR6 (0.35) NFE2L2HTR6HTR2AHTR2CHTR7
SCHEMBL4120130 0.83 C1S (0.32) HTR6HTR2AHTR2CHTR7
SCHEMBL4117741 0.83 LIPG (0.31) DHODH
SCHEMBL3654891 0.83 ATM (0.34) HTR6EGFR
SCHEMBL16333440 0.82 NFE2L2 (0.44) NFE2L2HTR6HTR2AHTR2CHTR7

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 NFE2L2 2670/4885HTR6 3676/4885HTR2A 3643/4885

“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.