SCHEMBL3906402

SCHEMBL3906402

CCOC(=O)c1sc(-c2cccc(N)c2)c(Br)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.58
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
PTPN2 P17706 2/20 0.42
PTPRC P08575 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3916471 0.93 PTPN1 (0.56) PTPN1PTPN2PTPRC
SCHEMBL3906162 0.90 PTPN1 (0.60) PTPN1PTPN2PTPRC
SCHEMBL6267699 0.88 PTPN1 (0.75) PTPN1PTPN2PTPRC
SCHEMBL3912238 0.85 PTPN1 (0.61) PTPN1PTPN2PTPRC
SCHEMBL25036333 0.84 PTPN1 (0.48) PTPN1SMN1; SMN2MEN1MAPTRAB9A
SCHEMBL30273913 0.81 PTPN1 (0.44) PTPN1SMN1; SMN2MEN1MAPTRAB9A
SCHEMBL25036178 0.81 PTPN1 (0.44) PTPN1SMN1; SMN2MEN1MAPTRAB9A
SCHEMBL30273918 0.81 PTPN1 (0.44) PTPN1SMN1; SMN2MEN1MAPTRAB9A
SCHEMBL3907238 0.81 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL25034776 0.81 PTPN1 (0.47) PTPN1SMN1; SMN2MAPTHPGDCYP2C9

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 4531/4885MEN1 4677/4885

“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.