SCHEMBL3205578

SCHEMBL3205578

COC(=O)c1sc2cc(C(=O)OC(C)(C)C)ccc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.42
MAOB P27338 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
GLA P06280 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL3195877 0.88 LCK (0.39) LCKSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7491144 0.83 MAOB (0.45) LCKMAOBSMN1; SMN2KDM4EALDH1A1
SCHEMBL7571864 0.82 KDM4E (0.46) LCKMAOBSMN1; SMN2KDM4EALDH1A1
SCHEMBL3198197 0.82 MAPT (0.54) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL4126482 0.80 KDM4E (0.41) LCKSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL3205728 0.78 KDM4E (0.42) LCKMAOBSMN1; SMN2KDM4EALDH1A1
SCHEMBL13926048 0.77 BCL2L1 (0.51) MAOBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL2578736 0.76 RXFP1 (0.53) MAOBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4121216 0.76 MAPT (0.45) MAOBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL29445467 0.76 MAPT (0.45) MAOBSMN1; SMN2KDM4EALDH1A1MAPT

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 6 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-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 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
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO 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 (3 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM LCK 81/4885MAOB 1009/4885SMN1; SMN2 4056/4885
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 LCK 291/4885MAOB 2349/4885SMN1; SMN2 4389/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM LCK 81/4885MAOB 1009/4885SMN1; SMN2 4056/4885

“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.