SCHEMBL422830

SCHEMBL422830

Cc1cc(S(=O)(=O)N[C]=O)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MME P08473 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 1/20 0.44

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
SCHEMBL426030 0.84 KMT2A (0.54) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL10153819 0.80 TSHR (0.61) TSHRALDH1A1HSD17B10SMN1; SMN2PKM
SCHEMBL13485823 0.79 TSHR (0.59) TSHRALDH1A1HSD17B10MMP1MMP2
SCHEMBL422831 0.76 TSHR (0.60) TSHRALDH1A1HSD17B10SMN1; SMN2PKM
SCHEMBL4355804 0.75 TSHR (0.54) TSHRALDH1A1HSD17B10SMN1; SMN2KMT2A
SCHEMBL78504 0.74 GAA (0.59) ALDH1A1HSD17B10SMN1; SMN2PKMKMT2A
SCHEMBL2329775 0.74 PTGS2 (0.64) TSHRALDH1A1HSD17B10SMN1; SMN2KMT2A
SCHEMBL423264 0.74 CA1 (0.57) TSHRALDH1A1PKMKMT2AMEN1
SCHEMBL25450445 0.72 TSHR (0.63) TSHRALDH1A1HSD17B10SMN1; SMN2PKM
SCHEMBL30161418 0.72 TSHR (0.63) TSHRALDH1A1HSD17B10SMN1; SMN2PKM

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 TSHR 3832/4885ALDH1A1 1167/4885HSD17B10 856/4885

“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.