SCHEMBL4134050

SCHEMBL4134050

COC(=O)c1sc2ncccc2c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.64
KDM4E B2RXH2 6/20 0.57
KMT2A Q03164 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
LIMK1 P53667 1/20 0.50
ALDH1A1 P00352 1/20 0.46
MAP2K1 Q02750 1/20 0.46

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
SCHEMBL16475087 0.85 KDM4E (0.57) TP53KDM4EKMT2ANPSR1CYP1A2
SCHEMBL1810663 0.85 TP53 (0.67) TP53KDM4EKMT2ANPSR1CYP1A2
SCHEMBL9540885 0.84 KDM4E (0.47) TP53KDM4EKMT2ANPSR1CYP1A2
SCHEMBL4849865 0.84 TP53 (0.60) TP53KDM4EKMT2ANPSR1CYP1A2
SCHEMBL4851054 0.84 KDM4E (0.66) TP53KDM4EKMT2ANPSR1CYP1A2
SCHEMBL2896095 0.84 IKBKB (0.68) TP53KDM4EKMT2ANPSR1CYP1A2
SCHEMBL15931650 0.84 KDM4E (0.62) TP53KDM4EKMT2ANPSR1CYP1A2
SCHEMBL9542512 0.83 IKBKB (0.54) TP53KDM4EKMT2ANPSR1CYP1A2
SCHEMBL9539889 0.82 TP53 (0.47) TP53KDM4EKMT2ANPSR1CYP1A2
SCHEMBL9541069 0.81 KDM4E (0.49) TP53KDM4EKMT2ANPSR1CYP1A2

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 11 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-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 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
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US disclosed
EP-1440075-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2004-07-28 EP disclosed
WO-2003037904-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2003-05-08 WO disclosed
WO-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 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 (3 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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 TP53 3133/4885KDM4E 2970/4885KMT2A 2929/4885
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM TP53 1154/4885KDM4E 899/4885KMT2A 2936/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM TP53 1154/4885KDM4E 899/4885KMT2A 2936/4885

“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.