SCHEMBL456337

SCHEMBL456337

CCOc1ccc(S(=O)(=O)N2[CH]CC2)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
XDH P47989 1/20 0.42
THRB P10828 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
SLC22A12 Q96S37 2/20 0.40
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL5875799 0.82 TSHR (0.59) ALDH1A1TSHRLMNAHTTSMN1; SMN2
SCHEMBL1231574 0.81 TSHR (0.57) ALDH1A1TSHRLMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL28282314 0.80 XDH (0.46) ALDH1A1LMNAHTTSMN1; SMN2XDH
SCHEMBL1231565 0.78 TRPV4 (0.54) ALDH1A1XDHPTGDR2SLC22A12
SCHEMBL16188276 0.73 TSHR (0.56) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL13211318 0.71 PDE4A (0.46) HTTSMN1; SMN2XDHPTGDR2SLC22A12
SCHEMBL1940629 0.70 TRPV4 (0.54) ALDH1A1TSHRLMNAHTTXDH
SCHEMBL8516131 0.70 XDH (0.46) ALDH1A1LMNASMN1; SMN2XDHTP53
SCHEMBL6691845 0.68 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHTTSMN1; SMN2
SCHEMBL4694901 0.68 AR (0.57) ALDH1A1XDHSLC22A12POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
EP-2613630-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Cempra Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 WO 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-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Q6ZSR9, LSS, LCT ALDH1A1 1487/4885TSHR 3367/4885LMNA 1057/4885

“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.