SCHEMBL3198299

SCHEMBL3198299

O=C(O)COc1c(C(=O)O)sc2c1sc1cc(C(=O)NC3CCCCC3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.54
PTPN2 P17706 1/20 0.54
LMNA P02545 2/20 0.44
HPGD P15428 3/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 4/20 0.40
MLLT1 Q03111 1/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL3180832 0.87 PTPN1 (0.52) PTPN1PTPN2LMNAHPGDALDH1A1
SCHEMBL3189014 0.84 PTPN1 (0.70) PTPN1PTPN2
SCHEMBL3203472 0.84 PTPN1 (0.58) PTPN1PTPN2
SCHEMBL3191984 0.82 RAB9A (0.43) LMNAHPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL3180825 0.81 PTPN1 (0.52) PTPN1PTPN2LMNAALDH1A1RAB9A
SCHEMBL3200830 0.80 PTPN1 (0.53) PTPN1PTPN2
SCHEMBL3200852 0.77 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL3263153 0.76 PTPN1 (0.50) PTPN1PTPN2
SCHEMBL3263151 0.76 PTPN1 (0.50) PTPN1PTPN2
SCHEMBL3200174 0.75 PTPN1 (0.54) PTPN1PTPN2ALDH1A1NPC1

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 22/4885PTPN2 14/4885LMNA 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.