SCHEMBL3906261

SCHEMBL3906261

Cc1ccccc1-c1cc(OCC(=O)O)c(C(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.46
FFAR1 O14842 3/20 0.46
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 1/20 0.43
MCL1 Q07820 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NSD2 O96028 1/20 0.42
MMP14 P50281 1/20 0.42
PTPN1 P18031 2/20 0.42
KDM4E B2RXH2 1/20 0.41
PTPRF P10586 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
SCHEMBL3910841 0.83 PTPN1 (0.53) HPGDPTGDR2PPARGPPARDPPARA
SCHEMBL10727407 0.77 NSD2 (0.46) HPGDPTGDR2FFAR1PPARGPPARD
SCHEMBL3906377 0.76 PTPN1 (0.43) POLBPTPN1
SCHEMBL6264668 0.74 PTPN1 (0.52) PTGDR2FFAR1PPARDPOLBSMN1; SMN2
SCHEMBL3916115 0.74 IKBKB (0.57) HPGDPTGDR2POLBSMN1; SMN2PTPN1
SCHEMBL11625356 0.72 TDP1 (0.47) HPGDPTGDR2PPARGPTPN1KDM4E
SCHEMBL9826543 0.72 MAPT (0.56) HPGDPOLBSMN1; SMN2GLAL3MBTL1
SCHEMBL29966790 0.71 SMN1; SMN2 (0.67) HPGDPTGDR2POLBSMN1; SMN2GLA
SCHEMBL654774 0.71 SMN1; SMN2 (0.67) HPGDPTGDR2POLBSMN1; SMN2GLA
SCHEMBL14765471 0.70 FFAR1 (0.60) FFAR1PPARGPPARDPPARA

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 4 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 claimed
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 HPGD 3417/4885PTGDR2 3735/4885FFAR1 2634/4885

“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.