SCHEMBL4120716

SCHEMBL4120716

N#Cc1sc2ncccc2c1OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 1/20 0.47
HIF1A Q16665 1/20 0.46
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
CD69 Q07108 3/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOTUM Q6P988 1/20 0.39
IKBKB O14920 1/20 0.39

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
SCHEMBL4120042 0.84 KDM4E (0.49) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL13949895 0.81 KDM4E (0.44) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL13926043 0.80 KDM4E (0.71) KDM4EALDH1A1HIF1AKMT2ANPSR1
SCHEMBL4124241 0.78 KDM4E (0.66) KDM4EALDH1A1HIF1AKMT2ANPSR1
SCHEMBL9543679 0.72 LIMK1 (0.41) KDM4EALDH1A1HIF1AKMT2ATDP1
SCHEMBL3907278 0.72 PTPN1 (0.59) KDM4EALDH1A1HIF1AKMT2ANPSR1
SCHEMBL11334745 0.71 LIMK1 (0.40) KDM4EALDH1A1HIF1AKMT2ATDP1
SCHEMBL11342391 0.70 LIMK1 (0.38) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL4120254 0.69 KDM4E (0.68) KDM4EALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL14784590 0.69 KDM4E (0.55) KDM4EALDH1A1HIF1AKMT2ACYP1A2

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 KDM4E 899/4885ALDH1A1 2329/4885HIF1A 3686/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885ALDH1A1 2329/4885HIF1A 3686/4885

“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.