SCHEMBL3260913

SCHEMBL3260913

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.68
PTPN2 P17706 2/20 0.68
MCL1 Q07820 3/20 0.52
BCKDK O14874 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
BCL2 P10415 2/20 0.45
BCL2L1 Q07817 2/20 0.45
BAD Q92934 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
PTPRC P08575 2/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
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

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
SCHEMBL4131337 0.88 MCL1 (0.60) PTPN1PTPN2MCL1BCKDKRXFP1
SCHEMBL3189014 0.86 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL3188678 0.83 PTPN1 (0.47) PTPN1PTPN2MCL1BCKDKRXFP1
SCHEMBL3198156 0.81 PTPN1 (1.00) PTPN1PTPN2MCL1PTPRCPTPRF
SCHEMBL3203050 0.81 PTPN1 (0.70) PTPN1PTPN2PTPRCPTPRFPTPRA
SCHEMBL4132046 0.78 MCL1 (0.50) PTPN1PTPN2MCL1BCKDKRXFP1
SCHEMBL3192685 0.78 PTPN1 (0.65) PTPN1PTPN2PTPRC
SCHEMBL3189404 0.78 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL3189998 0.76 PTPN1 (0.56) PTPN1PTPN2PTPRC
SCHEMBL3203472 0.76 PTPN1 (0.58) PTPN1PTPN2PTPRC

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 14/4885MCL1 4024/4885

“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.