SCHEMBL3911033

SCHEMBL3911033

O=C(O)COc1c(-c2cccc(C(F)(F)F)c2)csc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.50
PTGDR2 Q9Y5Y4 5/20 0.50
PTPN6 P29350 3/20 0.50
PTPN2 P17706 3/20 0.49
PTPRC P08575 2/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
KMO O15229 1/20 0.42

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
SCHEMBL3916316 0.82 PTPN1 (0.55) PTPN1PTGDR2PTPN2PTPRCKMT2A
SCHEMBL4553644 0.78 ALDH1A1 (0.56) PTPN1ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL3908023 0.77 PTPN1 (0.52) PTPN1ALDH1A1MEN1KMT2ARORC
SCHEMBL3912034 0.74 ALAD (0.40) PTPN1PTPN2PTPRCKDM4E
SCHEMBL3906538 0.74 PTPN1 (0.60) PTPN1PTGDR2PTPN2PTPRCMEN1
SCHEMBL12147393 0.71 PTGDR2 (0.72) PTGDR2
SCHEMBL3903861 0.71 PTPN1 (0.53) PTPN1PTPN2PTPRC
SCHEMBL5989228 0.71 PTGDR2 (0.50) PTPN1PTGDR2PTPN6PTPN2PTPRC
SCHEMBL4553643 0.70 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12466271 0.70 ADORA1 (0.49) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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 PTPN1 11/4885PTGDR2 3735/4885PTPN6 15/4885

“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.