SCHEMBL3203050

SCHEMBL3203050

O=C(O)COc1c(C(=O)O)sc2c1sc1cc(Cc3ccccc3)ccc12

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.70
PTPN2 P17706 2/20 0.70
PTPRC P08575 2/20 0.44
PTPRF P10586 1/20 0.39
PTPRA P18433 1/20 0.39
PTPRB P23467 1/20 0.39
PTPN6 P29350 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN12 Q05209 1/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
EDNRA P25101 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4135388 0.89 PTPN1 (0.53) PTPN1PTPN2PTPRCPLA2G10PLA2G2A
SCHEMBL3192685 0.83 PTPN1 (0.65) PTPN1PTPN2PTPRC
SCHEMBL3198156 0.82 PTPN1 (1.00) PTPN1PTPN2PTPRCPTPRFPTPRA
SCHEMBL3189014 0.82 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL3260913 0.81 PTPN1 (0.68) PTPN1PTPN2PTPRCPTPRFPTPRA
SCHEMBL3181731 0.79 PTPN1 (0.43) PTPN1PTPN2KDM4EALDH1A1
SCHEMBL4118518 0.75 KDM4E (0.52) PTPN1PTPN2PTPRCEDNRAKDM4E
SCHEMBL3189404 0.74 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL428208 0.74 IDH1 (0.42) PTPN1PTPN2ALDH1A1
SCHEMBL3200174 0.73 PTPN1 (0.54) PTPN1PTPN2PTPRCALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674822-B2 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid WYETH (US) 2010-03-09 US disclosed
US-20060135488-A1 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid WYETH 2006-06-22 US 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-20060135488-A1 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid PTPA, PTPRCAP, PTPRC PTPN1 22/4885PTPN2 14/4885PTPRC 3/4885

“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.