SCHEMBL4123046

SCHEMBL4123046

COC(=O)c1sc2cc(-c3ccc(C#N)cc3)ccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.40
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
PRSS12 P56730 1/20 0.36
LIMK1 P53667 1/20 0.36
TRPA1 O75762 1/20 0.36
CTSA P10619 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ESR1 P03372 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
MMP3 P08254 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
SCHEMBL4131737 0.89 L3MBTL1 (0.41) MAPTPRSS12LIMK1KDM4EGLA
SCHEMBL4119302 0.89 LIPG (0.42) MAPTPOLBKDM4EGLAHPGD
SCHEMBL4131424 0.89 MAPT (0.37) MAPTKDM4EGLAHPGDALDH1A1
SCHEMBL4126920 0.84 PTPN1 (0.37) MAPTPOLBLIMK1KDM4EGLA
SCHEMBL4118848 0.84 NR4A2 (0.40) MAPTKDM4EGLAHPGDALDH1A1
SCHEMBL4124207 0.83 MAPT (0.39) MAPTLIMK1KDM4EGLAHPGD
SCHEMBL4124240 0.82 GABRA1 (0.42) MAPTPOLBKDM4EALDH1A1MAPK1
SCHEMBL4131053 0.81 SMN1; SMN2 (0.43) MAPTRXFP1KDM4EGLAHPGD
SCHEMBL4118492 0.81 MAPK1 (0.37) MAPTCTSAKDM4EGLAHPGD
SCHEMBL4130360 0.81 MCL1 (0.43) MAPTPOLBKDM4EGLAHPGD

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 EGLN1 2954/4885MAPT 3303/4885POLB 3952/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM EGLN1 2954/4885MAPT 3303/4885POLB 3952/4885

“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.