SCHEMBL17610992

SCHEMBL17610992

Cc1cnn(S(=O)(=O)N(C)C)c1Cc1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36
PKM P14618 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
AOC3 Q16853 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
SCHEMBL20223362 0.87 ATM (0.38) ALDH1A1SMN1; SMN2ATMHPGDKDM4E
SCHEMBL17610932 0.86 ATM (0.37) ALDH1A1SMN1; SMN2ATMHPGDKDM4E
SCHEMBL17610976 0.85 KDM4E (0.39) ALDH1A1SMN1; SMN2ATMHPGDKDM4E
SCHEMBL17610982 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ATMHPGDKDM4E
SCHEMBL17619374 0.81 LMNA (0.41) ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10
SCHEMBL17610927 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2ATMHPGDKDM4E
SCHEMBL17610926 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2ATMHPGDKDM4E
SCHEMBL17619377 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2ATMHPGDKDM4E
SCHEMBL17610960 0.79 GUCY1B2 (0.38) SMN1; SMN2ATMPKM
SCHEMBL17610997 0.76 PKM (0.38) ALDH1A1SMN1; SMN2ATMHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844064-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-11-24 US disclosed
US-20180155345-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-07 US disclosed
US-20180155345-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-06-07 US disclosed
EP-3194386-A2 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-07-26 EP disclosed
WO-2016044446-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 WO disclosed
WO-2016044446-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 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 (2 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-10844064-B2 sGC stimulators GUCY1B1, GUCY1A1, PRKG1 ALDH1A1 1902/4885SMN1; SMN2 3173/4885ATM 712/4885
US-20180155345-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 ALDH1A1 1902/4885SMN1; SMN2 3173/4885ATM 712/4885

“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.