SCHEMBL3196453

SCHEMBL3196453

COC(=O)c1sc2c(cnc3ccc(C)cc32)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39
VCAM1 P19320 1/20 0.39
NMT1 P30419 1/20 0.38
LCK P06239 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3181856 0.83 ALDH1A1 (0.43) MAPTSMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL3191185 0.80 PTGER4 (0.39) MAPTALDH1A1KDM4EGAAICAM1
SCHEMBL3205752 0.78 MAPT (0.39) MAPTSMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL17149272 0.76 MAPK1 (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL13926047 0.74 IKBKB (0.55) MAPTALDH1A1KDM4EATML3MBTL1
SCHEMBL9175826 0.74 MAPT (0.48) MAPTSMN1; SMN2NPSR1ALDH1A1CYP1A2
SCHEMBL15263445 0.73 ALDH1A1 (0.46) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL13926048 0.73 BCL2L1 (0.51) MAPTSMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL3181081 0.72 PTPN1 (0.47) MAPTALDH1A1KDM4EL3MBTL1HTT
SCHEMBL3196801 0.72 MEN1 (0.41) KMT2A

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 MAPT 3897/4885SMN1; SMN2 4389/4885NPSR1 3339/4885

“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.