SCHEMBL4120893

SCHEMBL4120893

CCOC(=O)COc1c(C(=O)OC)sc2cc(-c3ccc(N(C)C)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.41
MAPT P10636 6/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
F9 P00740 2/20 0.39
F10 P00742 1/20 0.39
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 5/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PRKCI P41743 1/20 0.37
PRKCZ Q05513 1/20 0.37

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
SCHEMBL4121061 0.88 F9 (0.43) L3MBTL1ATMMAPTLMNAF9
SCHEMBL4120603 0.84 RAB9A (0.42) MAPTLMNATDP1F9F10
SCHEMBL4136002 0.81 ALDH1A1 (0.43) L3MBTL1MAPTLMNAF9F10
SCHEMBL4132117 0.80 GAA (0.48) L3MBTL1MAPTLMNAF9F10
SCHEMBL4132578 0.79 KMT2A (0.39) L3MBTL1MAPTLMNATDP1F9
SCHEMBL4123467 0.78 ALDH1A1 (0.40) L3MBTL1MAPTF9F10ALDH1A1
SCHEMBL4118805 0.78 PTPN1 (0.61) PTPRCPTPN2PTPN1
SCHEMBL6507324 0.76 PTPN1 (0.40) MAPTTDP1F9F10PTPN1
SCHEMBL4119302 0.76 LIPG (0.42) ATMMAPTLMNAPTPN1ALDH1A1
SCHEMBL4131737 0.76 L3MBTL1 (0.41) L3MBTL1ATMMAPTLMNATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO 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 (2 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM L3MBTL1 2530/4885ATM 793/4885TLR9 3489/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM L3MBTL1 2530/4885ATM 793/4885TLR9 3489/4885

“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.