SCHEMBL7520515

SCHEMBL7520515

COc1ccc(CN2CCc3c(sc(N)c3C(=O)OC(C)(C)C)C2CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADORA1 P30542 6/20 0.39
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
DRD2 P14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NT5E P21589 1/20 0.36
P2RX3 P56373 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
SCHEMBL5766921 0.93 KDM4E (0.44) KDM4EMAPTMEN1KMT2AADORA1
SCHEMBL5838731 0.91 ADORA1 (0.48) KDM4EMAPTMEN1KMT2AADORA1
SCHEMBL5771466 0.89 KDM4E (0.41) KDM4EMAPTMEN1KMT2AADORA1
SCHEMBL5771550 0.86 CASP3 (0.39) KDM4EMAPTMEN1KMT2AADORA1
SCHEMBL5773593 0.85 MAPT (0.40) KDM4EMAPTMEN1KMT2AADORA1
SCHEMBL7515584 0.84 ADORA1 (0.43) KDM4EMAPTMEN1KMT2AADORA1
SCHEMBL5772133 0.80 MAPT (0.49) KDM4EMAPTMEN1KMT2AADORA1
SCHEMBL7528917 0.80 KDM4E (0.46) KDM4EMAPTMEN1KMT2AADORA1
SCHEMBL5837593 0.80 KDM4E (0.37) KDM4EMAPTMEN1KMT2AADORA1
SCHEMBL7004315 0.80 ADORA1 (0.43) KDM4EMAPTMEN1KMT2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-07-25 US disclosed
WO-2002004458-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-17 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 (1 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-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPN1, PTPRO, PTPRS KDM4E 1221/4885MAPT 3880/4885MEN1 4795/4885

“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.