SCHEMBL1025124

SCHEMBL1025124

CC(C)(C)NS(=O)(=O)c1cc(C#Cc2cccc(NC(=O)O)c2)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.40
ALOX5 P09917 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
PTPN11 Q06124 1/20 0.39
LMNA P02545 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1025121 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL13622730 0.89 ALOX5 (0.48) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL1027175 0.83 MEN1 (0.41) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL1024587 0.82 KMT2A (0.40) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL13633174 0.71 ALOX5 (0.51) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28729020 0.70 TSHR (0.52) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL18739981 0.70 CA2 (0.65) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL29715252 0.70 CA2 (0.65) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL1025542 0.69 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL1025541 0.69 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTHPGD

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALDH1A1 2511/4885MEN1 1321/4885KMT2A 382/4885

“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.