SCHEMBL4119836

SCHEMBL4119836

O=C(O)COc1c(C(=O)O)sc2cc(C(=O)NCc3ccccc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.51
PTPN2 P17706 1/20 0.51
HDAC1 Q13547 2/20 0.50
SENP2 Q9HC62 10/20 0.49
SENP1 Q9P0U3 10/20 0.49
SENP5 Q96HI0 9/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.46
IMPDH2 P12268 1/20 0.46

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
SCHEMBL4119525 0.89 NPC1 (0.50) PTPN1PTPN2HDAC1PTGS2
SCHEMBL4120451 0.84 SENP5 (0.49) PTPN1PTPN2SENP2SENP1SENP5
SCHEMBL4126550 0.83 HDAC1 (0.47) HDAC1SENP2SENP1SENP5CYP2D6
SCHEMBL4135388 0.80 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL4127309 0.80 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL4120133 0.80 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL4119518 0.80 DYRK1A (0.51) PTPN1PTPN2HDAC1
SCHEMBL11844857 0.79 PTPN1 (0.76) PTPN1PTPN2
SCHEMBL4126773 0.78 EDNRA (0.59) PTPN1PTPN2SENP2SENP1SENP5
SCHEMBL30607029 0.78 HDAC1 (0.61) HDAC1CYP2D6CYP2C9CYP2C19PTGS2

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 PTPN1 11/4885PTPN2 23/4885HDAC1 1382/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885PTPN2 23/4885HDAC1 1382/4885

“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.