SCHEMBL427882

SCHEMBL427882

Cc1cc(F)ccc1S(=O)(=O)NC=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.48
MCL1 Q07820 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEP1B Q16820 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL429956 0.82 POLB (0.48) BRD4ALDH1A1LMNA
SCHEMBL18359166 0.79 RXFP1 (0.50) RXFP1MCL1MEN1KMT2ATSHR
SCHEMBL15881204 0.79 CA1 (0.50) RXFP1MCL1MEN1KMT2ATSHR
SCHEMBL8023235 0.77 MCL1 (0.51) RXFP1MCL1MEN1KMT2ATSHR
SCHEMBL427881 0.76 RXFP1 (0.48) RXFP1MCL1MEN1KMT2ATSHR
SCHEMBL896792 0.75 TSHR (0.50) RXFP1MCL1MEN1KMT2ATSHR
SCHEMBL2122256 0.75 TSHR (0.50) RXFP1MCL1MEN1KMT2ATSHR
SCHEMBL423104 0.74 EDNRA (0.49) RXFP1MCL1KMT2AKDM4EALDH1A1
SCHEMBL4572915 0.74 L3MBTL1 (0.59) RXFP1MCL1MEN1KMT2ATSHR
SCHEMBL4618409 0.74 TSHR (0.49) RXFP1MCL1MEN1KMT2ATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 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-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 RXFP1 4408/4885MCL1 3627/4885MEN1 4625/4885

“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.