SCHEMBL3200708

SCHEMBL3200708

CCOC(=O)COc1c(C(=O)OC)sc2cc3cc(NCc4ccccc4)csc-3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SENP5 Q96HI0 1/20 0.37
SENP2 Q9HC62 1/20 0.37
SENP1 Q9P0U3 1/20 0.37
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ABCB1 P08183 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3191181 0.87 KMT2A (0.38) CDC7DBF4MEN1KMT2ASENP5
SCHEMBL3189639 0.82 KDM4E (0.34) PTPN1KDM4ESMN1; SMN2RAB9AHSD17B10
SCHEMBL3192714 0.82 PTPN1 (0.58) PTPN1
SCHEMBL3203156 0.81 PTPN1 (0.53) PTPN1MAPTNPSR1GAA
SCHEMBL3190729 0.80 PTPN1 (0.39) PTPN1MEN1KMT2AALDH1A1MAPT
SCHEMBL3192989 0.79 PTPN1 (0.40) PTPN1
SCHEMBL3908346 0.79 PTPN1 (0.55) PTPN1CDC7DBF4CA1CA2
SCHEMBL3204485 0.78 PTPN1 (0.31) PTPN1
SCHEMBL3913887 0.77 PTPN1 (0.68) PTPN1
SCHEMBL3198326 0.77 PTPN1 (0.42) PTPN1ALDH1A1SMN1; SMN2GAA

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 22/4885CDC7 1808/4885DBF4 4481/4885

“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.