SCHEMBL3198324

SCHEMBL3198324

O=C(O)COc1c(C(=O)O)sc2cc3cc(C(=O)NC4CCCCC4)csc-3c12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.45
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
PTPN2 P17706 2/20 0.35
PTPRC P08575 1/20 0.35

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
SCHEMBL3180840 0.87 PTPN1 (0.47) PTPN1KMT2AMEN1RAB9AHPGD
SCHEMBL3203501 0.85 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL3189034 0.84 PTPN1 (0.44) PTPN1PTPN2PTPRC
SCHEMBL3191987 0.82 RAB9A (0.39) KMT2AMEN1RAB9AHPGDSMN1; SMN2
SCHEMBL3200842 0.81 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL3263156 0.77 PTPN1 (0.39) PTPN1PTPN2PTPRC
SCHEMBL3192633 0.76 PTPN1 (0.56) PTPN1PTPN2PTPRC
SCHEMBL3190740 0.76 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL3260915 0.76 PTPN1 (0.43) PTPN1PTPN2PTPRC
SCHEMBL3200190 0.76 PTPN1 (0.40) PTPN1PTPN2PTPRC

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 22/4885KMT2A 3165/4885MEN1 4743/4885

“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.