SCHEMBL3911409

SCHEMBL3911409

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(N)c2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 4/20 0.41
GRM6 O15303 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F9 P00740 2/20 0.41
F10 P00742 1/20 0.41
GRM5 P41594 1/20 0.40
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3912238 0.91 PTPN1 (0.61) PTPN1
SCHEMBL13867938 0.88 PTPN1 (0.51) PTPN1SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL3915170 0.88 GRM6 (0.48) PTPN1SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL3908346 0.83 PTPN1 (0.55) PTPN1MAPTALDH1A1HPGDKDM4E
SCHEMBL4131939 0.83 HSD17B10 (0.41) PTPN1SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL3908336 0.82 PTPN1 (0.43) PTPN1MAPTALDH1A1HPGDHSD17B10
SCHEMBL3907238 0.82 PTPN1 (0.66) PTPN1
SCHEMBL3908620 0.81 PTPN1 (0.56) PTPN1
SCHEMBL25036333 0.81 PTPN1 (0.48) PTPN1SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL3904788 0.81 MAPT (0.49) PTPN1SMN1; SMN2MAPTALDH1A1HPGD

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-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-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 (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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM PTPN1 11/4885SMN1; SMN2 4531/4885MAPT 3976/4885

“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.