SCHEMBL5067464

SCHEMBL5067464

CC(C)CC(=O)Nc1sccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.58
PTPRB P23467 1/20 0.58
PTPN6 P29350 1/20 0.58
ABCC1 P33527 2/20 0.55
HCAR2 Q8TDS4 1/20 0.50
PTPN1 P18031 1/20 0.47
MAPK10 P53779 1/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK8 P45983 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PTK2 Q05397 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ADORA2A P29274 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL5063495 0.84 KMT2A (0.64) MAPK10KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL14218016 0.80 PTPN1 (0.50) PTPN1LMNAHPGDKDM4ESMN1; SMN2
SCHEMBL5065942 0.80 MAPK10 (0.53) MAPK10LMNAHPGDKDM4EMAPK8
SCHEMBL10741969 0.78 PTPN2 (0.64) PTPN2PTPRBPTPN6ABCC1HCAR2
SCHEMBL1704195 0.78 PTK2 (0.71) PTPN2PTPRBPTPN6ABCC1HCAR2
SCHEMBL10741093 0.77 PTPN2 (0.58) PTPN2PTPRBPTPN6ABCC1HCAR2
SCHEMBL13764835 0.77 PTPN2 (0.72) PTPN2PTPRBPTPN6ABCC1HCAR2
SCHEMBL10741084 0.77 PTPN2 (0.62) PTPN2PTPRBPTPN6ABCC1HCAR2
SCHEMBL4959777 0.76 ABCC1 (0.57) PTPN2PTPRBPTPN6ABCC1HCAR2
SCHEMBL25381542 0.76 PTPN2 (0.56) PTPN2PTPRBPTPN6ABCC1HCAR2

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-20080102068-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-05-01 US disclosed
US-20080102068-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-05-01 US disclosed
EP-1856128-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006078574-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-07-27 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-20080102068-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B PTPN2 3809/4885PTPRB 2107/4885PTPN6 3645/4885

“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.