SCHEMBL3193746

SCHEMBL3193746

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
F9 P00740 2/20 0.33
F10 P00742 1/20 0.33
RAF1 P04049 1/20 0.33
CYP17A1 P05093 1/20 0.33
NLRP3 Q96P20 5/20 0.33
KDM4E B2RXH2 3/20 0.33
KCNQ4 P56696 2/20 0.33
KCNQ5 Q9NR82 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
LCK P06239 1/20 0.32
SREBF2 Q12772 1/20 0.32
PTPN1 P18031 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
SCHEMBL3189639 0.85 KDM4E (0.34) RAB9ANPC1HTTSMN1; SMN2MKNK2
SCHEMBL3190697 0.83 F9 (0.39) RAB9ANPC1SMN1; SMN2F9F10
SCHEMBL3189300 0.82 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2F9F10
SCHEMBL3200166 0.80 ALOX15 (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3204293 0.78 PTPN1 (0.40) RAB9ANPC1SMN1; SMN2F9F10
SCHEMBL3204312 0.76 KMT2A (0.37) NPC1RAF1KDM4EALDH1A1MAPT
SCHEMBL3189624 0.74 CA12 (0.38) NPC1F9F10KDM4EALDH1A1
SCHEMBL3907239 0.73 PTPN1 (0.45) MAPTPTPN1
SCHEMBL3181111 0.73 PDE2A (0.34) RAB9ANPC1SMN1; SMN2F9F10
SCHEMBL3196259 0.73 PDE2A (0.34) RAB9ANPC1SMN1; SMN2F9F10

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 RAB9A 2552/4885NPC1 3593/4885HTT 3501/4885

“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.