SCHEMBL14921015

SCHEMBL14921015

CN(C)S(=O)(=O)c1n[nH]cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.38
▸ NOTUM Q6P988 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.30

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
SCHEMBL12967678 0.80 LMNA (0.37) NOTUMSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL12967765 0.77 NOTUM (0.34) NOTUMALDH1A1LMNAKDM4EHPGD
SCHEMBL28294972 0.77 CA1 (0.38) MCL1NOTUMALDH1A1KDM4EHPGD
SCHEMBL23012186 0.72 TAS2R14 (0.57) —
SCHEMBL263529 0.67 — —
Hydrochloric Acid SCHEMBL8077868 0.66 NOTUM (0.45) NOTUMSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30798629 0.66 NOTUM (0.45) NOTUMSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2147013 0.65 — —
SCHEMBL69630 0.65 ALDH1A1 (0.39) NOTUMSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL163291 0.65 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145354-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2015-09-29 — — US disclosed
US-20150051199-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-19 — — US disclosed
EP-2773615-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2014-09-10 — — EP disclosed
CN-104039766-A Pharmaceutical compounds ASTEX THERAPEUTICS LTD 2014-09-10 — — CN disclosed
WO-2013064543-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-10 — — 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-20150051199-A1 PHARMACEUTICAL COMPOUNDS NR1H4, HAVCR2, NR1H3 MCL1 3055/4885NOTUM 4043/4885SMN1; SMN2 1900/4885

“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.

Send feedback