SCHEMBL3200166

SCHEMBL3200166

CCOC(=O)COc1c(C(=O)OC)sc2cc3ccc(NC4CCCCC4)sc-3c12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
PTPN1 P18031 4/20 0.38
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
PRNP P04156 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CASP3 P42574 1/20 0.34
HPGD P15428 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 2/20 0.33
NR3C1 P04150 1/20 0.33
AR P10275 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3204293 0.88 PTPN1 (0.40) PTPN1MAPTMEN1PRNPTP53
SCHEMBL3190729 0.84 PTPN1 (0.39) ALOX15PTPN1MAPTMEN1PRNP
SCHEMBL3181111 0.82 PDE2A (0.34) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3196259 0.82 PDE2A (0.34) ALDH1A1ESR1NPC1RAB9ASMN1; SMN2
SCHEMBL3190697 0.82 F9 (0.39) ALOX15MAPTMEN1TP53KMT2A
SCHEMBL3192633 0.82 PTPN1 (0.56) PTPN1
SCHEMBL3189300 0.81 ALDH1A1 (0.39) MAPTMEN1TP53KMT2ANPSR1
SCHEMBL3192078 0.81 ESR1 (0.36) PTPN1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3192682 0.81 ESR1 (0.36) PTPN1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3191987 0.80 RAB9A (0.39) MAPTMEN1TP53KMT2ANPSR1

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 ALOX15 1682/4885PTPN1 22/4885MAPT 3897/4885

“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.