SCHEMBL4120971

SCHEMBL4120971

CC(C)(C)OC(=O)c1sc2cc(OCc3ccccc3)ccc2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.48
MAOB P27338 5/20 0.45
EGLN2 Q96KS0 2/20 0.41
EGLN1 Q9GZT9 2/20 0.41
SENP5 Q96HI0 1/20 0.41
SENP2 Q9HC62 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
DYRK1A Q13627 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
SCD O00767 1/20 0.40
P2RY14 Q15391 1/20 0.40
ACHE P22303 1/20 0.40
NR4A2 P43354 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4126003 0.84 EDNRA (0.47) EDNRAMAOBSENP5SENP2SENP1
SCHEMBL4126007 0.75 SCD (0.41) EDNRAMAOBSCD
SCHEMBL8021187 0.73 DYRK1A (0.53) EDNRAMAOBDYRK1AMAOALMNA
SCHEMBL9374477 0.73 DYRK1A (0.56) EDNRAMAOBDYRK1ACYP3A4MAOA
SCHEMBL6779534 0.73 MAOB (0.65) MAOBNR4A2LMNACYP1A2PTGS1
SCHEMBL28876964 0.73 CYP1A2 (0.57) EDNRAMAOBCYP3A4MAOAP2RY14
SCHEMBL9142361 0.72 MEN1 (0.51) MAOBEGLN2EGLN1CASP3SENP8
SCHEMBL8023446 0.72 NMT1 (0.48) EDNRAMAOBLMNA
SCHEMBL25320154 0.72 YAP1 (0.47)
SCHEMBL30440168 0.72 YAP1 (0.47)

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 4 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-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 EDNRA 3588/4885MAOB 1009/4885EGLN2 3212/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM EDNRA 3588/4885MAOB 1009/4885EGLN2 3212/4885

“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.