SCHEMBL3195877

SCHEMBL3195877

COC(=O)c1sc2c(sc3cc(C(=O)OC(C)(C)C)ccc32)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.39
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
COMT P21964 1/20 0.37
HDAC1 Q13547 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
XDH P47989 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALOX15 P16050 4/20 0.35
KDM4E B2RXH2 3/20 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
SCHEMBL3205578 0.88 LCK (0.42) LCKRAB9ANPC1SMN1; SMN2GABRA1
SCHEMBL3200456 0.79 RXFP1 (0.44) RAB9ANPC1SMN1; SMN2COMTALOX15
SCHEMBL3198271 0.78 PTPN2 (0.38) LCKRAB9ANPC1SMN1; SMN2ALOX15
SCHEMBL3181802 0.75 MAPK1 (0.59) RAB9ANPC1SMN1; SMN2ALOX15KDM4E
SCHEMBL3189404 0.75 PTPN1 (0.59)
SCHEMBL3198197 0.74 MAPT (0.54) RAB9ANPC1SMN1; SMN2GABRA1GABRG2
SCHEMBL4126482 0.74 KDM4E (0.41) LCKRAB9ANPC1SMN1; SMN2GABRA1
SCHEMBL7491144 0.71 MAOB (0.45) LCKSMN1; SMN2HDAC1CA12CA1
SCHEMBL7571864 0.70 KDM4E (0.46) LCKSMN1; SMN2HDAC1CA12CA1
SCHEMBL3187510 0.68 PTPN2 (0.40) RAB9ANPC1SMN1; SMN2ALOX15KDM4E

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 LCK 291/4885RAB9A 2552/4885NPC1 3593/4885

“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.