SCHEMBL3198198

SCHEMBL3198198

C=CCOC(=O)c1ccc2c(c1)sc1c(OCC(=O)OCC)c(C(=O)OC)sc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.36
KDM4E B2RXH2 6/20 0.36
NPC1 O15118 5/20 0.36
RXFP1 Q9HBX9 2/20 0.36
HSP90AA1 P07900 1/20 0.36
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
ALDH1A1 P00352 9/20 0.36
HPGD P15428 6/20 0.36
HSD17B10 Q99714 4/20 0.36
F9 P00740 1/20 0.36
TSHR P16473 1/20 0.35
RAB9A P51151 4/20 0.34
STAT1 P42224 1/20 0.34
SNCA P37840 1/20 0.33
MAPT P10636 2/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3181089 0.87 PTPN2 (0.45) SMN1; SMN2KDM4EPTPN1PTPN2ALDH1A1
SCHEMBL3198271 0.85 PTPN2 (0.38) SMN1; SMN2KDM4ENPC1RXFP1PTPN1
SCHEMBL3191169 0.80 PTPN2 (0.43) SMN1; SMN2KDM4EPTPN1PTPN2ALDH1A1
SCHEMBL3191984 0.79 RAB9A (0.43) SMN1; SMN2NPC1RXFP1ALDH1A1HPGD
SCHEMBL3181093 0.78 TDP1 (0.41) SMN1; SMN2KDM4EALDH1A1HPGDMEN1
SCHEMBL3181085 0.78 ITK (0.39) SMN1; SMN2NPC1ALDH1A1HPGDTSHR
Trifluoroacetic Acid SCHEMBL3189525 0.76 PTPN2 (0.39) SMN1; SMN2KDM4EPTPN1PTPN2ALDH1A1
SCHEMBL3189624 0.76 CA12 (0.38) KDM4ENPC1PTPN1PTPN2ALDH1A1
SCHEMBL3200686 0.76 PTPN1 (0.43) SMN1; SMN2KDM4EPTPN1PTPN2ALDH1A1
SCHEMBL3190713 0.75 GABRA1 (0.41) PTPN1PTPN2F9L3MBTL1ALOX15

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 SMN1; SMN2 4389/4885KDM4E 2061/4885NPC1 3593/4885

“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.