SCHEMBL8032601

SCHEMBL8032601

C[C@@H](N[S+]([O-])C(C)(C)C)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.40
GAA P10253 1/20 0.34
TNF P01375 11/20 0.34
HSD11B1 P28845 2/20 0.33
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.32
SCN1A P35498 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
CNR2 P34972 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL17031936 1.00 MAPKAPK2 (0.40) MAPKAPK2GAATNFHSD11B1CNR1
SCHEMBL18673898 1.00 MAPKAPK2 (0.40) MAPKAPK2GAATNFHSD11B1CNR1
SCHEMBL14863768 1.00 MAPKAPK2 (0.40) MAPKAPK2GAATNFHSD11B1CNR1
SCHEMBL14831204 0.89 BACE1 (0.36) MAPKAPK2
SCHEMBL14831203 0.89 BACE1 (0.36) MAPKAPK2
SCHEMBL27965854 0.89 BACE1 (0.36) MAPKAPK2
SCHEMBL18635816 0.89 BACE1 (0.36) MAPKAPK2
SCHEMBL17031973 0.89 BACE1 (0.36) MAPKAPK2
SCHEMBL15638876 0.89 BACE1 (0.36) MAPKAPK2
SCHEMBL17041210 0.87 MAPKAPK2 (0.32) MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9603889-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
US-9603889-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
EP-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed
EP-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-20150238558-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
EP-2766352-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (UHN) (CA) 2014-08-20 EP disclosed
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERISTY HEALTH NETWORKS (CA) 2014-02-20 US disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO disclosed
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 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-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 MAPKAPK2 23/4885GAA 1381/4885TNF 4259/4885
US-20150238558-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 MAPKAPK2 784/4885GAA 1710/4885TNF 329/4885

“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.