SCHEMBL3907461

SCHEMBL3907461

CCOC(=O)COc1c(C(=O)OC)sc(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTPN1 P18031 12/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 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
SCHEMBL3908163 0.88 PTPN1 (0.45) TSHRPTPN1PTPRCPTPN2
SCHEMBL13867883 0.84 PTPN1 (0.51) PTPN1PTPRCPTPN2
SCHEMBL3906550 0.83 PTPN1 (0.47) PTPN1MEN1KMT2APTPRCPTPN2
SCHEMBL3907960 0.83 PTPN1 (0.48) TSHRPTPN1MEN1KMT2APTPRC
SCHEMBL3914591 0.82 PTPN1 (0.61) PTPN1PTPN2
SCHEMBL3907460 0.82 PTPN1 (0.43) PTPN1PTPRCPTPN2
SCHEMBL3907897 0.82 PTPN1 (0.67) PTPN1PTPRCPTPN2
SCHEMBL13867884 0.81 PTPN1 (0.48) PTPN1PTPRCPTPN2
SCHEMBL3914595 0.81 KMT2A (0.47) TSHRCYP2C9CYP2C19PTPN1ALDH1A1
SCHEMBL3907448 0.80 PTPN1 (0.54) PTPN1PTPRCPTPN2

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 TSHR 1019/4885CYP2D6 2202/4885CYP2C9 1658/4885

“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.