SCHEMBL3190729

SCHEMBL3190729

CCOC(=O)COc1c(C(=O)OC)sc2cc3cc(NC4CCCCC4)csc-3c12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.39
ALOX15 P16050 2/20 0.36
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
PRNP P04156 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
YAP1 P46937 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL3192989 0.92 PTPN1 (0.40) PTPN1
SCHEMBL3204485 0.89 PTPN1 (0.31) PTPN1
SCHEMBL3198326 0.89 PTPN1 (0.42) PTPN1ALDH1A1
SCHEMBL3191987 0.87 RAB9A (0.39) LMNAALDH1A1TSHRHSD17B10HPGD
SCHEMBL3200166 0.84 ALOX15 (0.39) PTPN1ALOX15ALDH1A1HPGDMEN1
SCHEMBL3203156 0.83 PTPN1 (0.53) PTPN1MAPTNPSR1
SCHEMBL3191974 0.82 PDE2A (0.33) ALDH1A1MAPT
SCHEMBL3181099 0.82 TDP1 (0.39) ALDH1A1HTTHPGDMEN1KMT2A
SCHEMBL3203501 0.81 PTPN1 (0.58) PTPN1
SCHEMBL3189639 0.81 KDM4E (0.34) PTPN1HTTHSD17B10

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 22/4885ALOX15 1682/4885LMNA 4747/4885

“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.