SCHEMBL3907258

SCHEMBL3907258

CN(C(=O)O)c1ccsc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
LMNA P02545 1/20 0.44
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
ABCC1 P33527 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR35 Q9HC97 1/20 0.38
PTPRC P08575 3/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL22261624 0.78 LMNA (0.44) AXLLMNAPTPN1PTPN2ABCC1
SCHEMBL4085267 0.74 KMT2A (0.43) KMT2ARAB9AMEN1NPC1KDM4E
SCHEMBL9309250 0.73 LMNA (0.54) AXLLMNAPTPN1PTPN2ABCC1
SCHEMBL11301515 0.71 PYCR1 (0.33) LMNAKMT2ARAB9AMEN1NPC1
SCHEMBL11292292 0.71 ALOX5 (0.33) KDM4EALDH1A1POLB
SCHEMBL159280 0.70
SCHEMBL7130790 0.70 LMNA (0.43) AXLLMNAPTPN1PTPN2ABCC1
SCHEMBL27682580 0.70 ABCC1 (0.39) AXLLMNAPTPN1PTPN2ABCC1
SCHEMBL11125203 0.69 CSNK2A2 (0.42) GAA
SCHEMBL10862218 0.68 GSK3B (0.57) AXLLMNAPTPN1PTPN2ABCC1

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 AXL 1392/4885LMNA 4870/4885PTPN1 11/4885

“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.