SCHEMBL4129933

SCHEMBL4129933

O=C(O)COc1c(C(=O)O)sc2cc(C(F)(F)F)cnc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 1/20 0.55
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 8/20 0.54
GAA P10253 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 3/20 0.43
PTPN1 P18031 6/20 0.42
PTPN2 P17706 2/20 0.41
AGBL2 Q5U5Z8 1/20 0.40
S1PR2 O95136 1/20 0.39
HPGD P15428 1/20 0.39
PTPRC P08575 1/20 0.39

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
SCHEMBL28794517 0.78 CYP2C9 (0.64) CYP2C9CYP2C19LMNAKDM4EALDH1A1
SCHEMBL4133223 0.75 ALDH1A1 (0.56) CYP2C9CYP2C19LMNAKDM4EALDH1A1
SCHEMBL5621395 0.73 CYP2C9 (1.00) CYP2C9CYP2C19LMNAKDM4EALDH1A1
SCHEMBL4125992 0.72 PTPN1 (0.56) KDM4EALDH1A1KMT2APTPN1PTPN2
SCHEMBL3882476 0.72 CYP2C9 (0.82) CYP2C9CYP2C19LMNAKDM4EALDH1A1
SCHEMBL7208213 0.71 LMNA (1.00) CYP2C9CYP2C19LMNAKDM4EALDH1A1
SCHEMBL27852359 0.70 CYP2C9 (0.55) CYP2C9CYP2C19LMNAKDM4EALDH1A1
SCHEMBL719808 0.70 ALDH1A1 (0.53) CYP2C9CYP2C19LMNAKDM4EALDH1A1
SCHEMBL4118771 0.69 ALDH1A1 (0.67) CYP2C9CYP2C19LMNAKDM4EALDH1A1
SCHEMBL3880856 0.69 CYP2C9 (0.69) CYP2C9CYP2C19LMNAKDM4EALDH1A1

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 5 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-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
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 CYP2C9 2638/4885CYP2C19 2677/4885LMNA 4856/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM CYP2C9 2638/4885CYP2C19 2677/4885LMNA 4856/4885

“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.