SCHEMBL3909538

SCHEMBL3909538

CCOC(=O)COc1c(C(N)=O)sc(Br)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 3/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
F9 P00740 2/20 0.37
PKM P14618 1/20 0.36
GAA P10253 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPA1 O75762 1/20 0.33
F10 P00742 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6266960 0.87 PTPN1 (0.68) PTPN1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL3913925 0.85 PTPN1 (0.53) PTPN1TSHRALDH1A1CYP1A2HSD17B10
SCHEMBL3911917 0.84 PTPN1 (0.49) PTPN1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL3907174 0.80 PTPN1 (0.76) PTPN1
SCHEMBL3905165 0.76 ALDH1A1 (0.40) PTPN1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL3908605 0.76 PTPN1 (0.46) PTPN1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL3907696 0.73 ALDH1A1 (0.43) PTPN1TSHRALDH1A1CYP1A2CYP2C19
SCHEMBL3908332 0.72 PTPN1 (0.48) PTPN1TSHRALDH1A1CYP1A2HSD17B10
SCHEMBL3912819 0.72 PTPN1 (0.54) PTPN1TSHRALDH1A1HSD17B10HPGD
SCHEMBL3908645 0.72 PTPN1 (0.71) PTPN1

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-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
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 11/4885TSHR 1019/4885ALDH1A1 2158/4885

“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.