SCHEMBL4125941

SCHEMBL4125941

COC(=O)COc1c(C(=O)OC)sc2cc(C(=O)Nc3cc(C)n(-c4ccccc4)n3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
POLB P06746 1/20 0.40
RIPK1 Q13546 5/20 0.39
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SAE1 Q9UBE0 1/20 0.37

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
SCHEMBL4126845 0.88 PTPN1 (0.44) NPC1SMN1; SMN2RAB9ATP53ALDH1A1
SCHEMBL4119888 0.79 NTRK1 (0.44) POLBLMNAMAPT
SCHEMBL4125937 0.77 KMT2A (0.44) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL4126550 0.76 HDAC1 (0.47) SMN1; SMN2TP53ALDH1A1LMNAKMT2A
SCHEMBL4127460 0.76 SENP5 (0.50) NPC1SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL4136093 0.76 KMT2A (0.38) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL4126165 0.75 ALDH1A1 (0.46) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL4135560 0.75 KDM5B (0.51) NPC1SMN1; SMN2RAB9ATP53ALDH1A1
SCHEMBL4126880 0.75 RAB9A (0.52) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL4126172 0.74 KDM4E (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM NPC1 4126/4885SMN1; SMN2 4056/4885RAB9A 1873/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM NPC1 4126/4885SMN1; SMN2 4056/4885RAB9A 1873/4885

“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.