SCHEMBL3204312

SCHEMBL3204312

COC(=O)c1sc2cc3cccsc-3c2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAF1 P04049 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPN1 P18031 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3187523 0.83 KMT2A (0.32) KMT2ACYP1A2MEN1MAPTKDM4E
SCHEMBL3181746 0.82 PTPN1 (0.35) KMT2ACYP1A2MEN1MAPTKDM4E
SCHEMBL4124240 0.81 GABRA1 (0.42) KMT2ACYP1A2MEN1MAPTKDM4E
SCHEMBL4119302 0.78 LIPG (0.42) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL3181810 0.76 KDM4E (0.44) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL3193746 0.76 RAB9A (0.34) MAPTKDM4ENPC1RAF1HPGD
SCHEMBL4126920 0.75 PTPN1 (0.37) KMT2ACYP1A2MAPTKDM4ELMNA
SCHEMBL3198166 0.75 PTPN1 (0.52) PTPN1
SCHEMBL3189639 0.75 KDM4E (0.34) KDM4ENPC1HSD17B10PTPN1
SCHEMBL13867986 0.74 PTPN1 (0.54) PTPN1

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 KMT2A 3165/4885CYP1A2 1861/4885MEN1 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.