SCHEMBL5222554

SCHEMBL5222554

COC(=O)CCC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.71
WNT3A P56704 5/20 0.71
ADAM17 P78536 1/20 0.68
NR4A2 P43354 1/20 0.63
CREBBP Q92793 1/20 0.63
ALOX5 P09917 2/20 0.61
KDM1A O60341 1/20 0.61
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.58
GABRA1 P14867 1/20 0.57
GABRB2 P47870 1/20 0.57
PBRM1 Q86U86 1/20 0.55
HPGD P15428 1/20 0.54
GPR84 Q9NQS5 1/20 0.54

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
SCHEMBL9151008 0.93 CTNNB1 (0.65) CTNNB1WNT3AADAM17NR4A2CREBBP
SCHEMBL9154202 0.92 CTNNB1 (0.64) CTNNB1WNT3AADAM17NR4A2CREBBP
SCHEMBL5162760 0.88 NR4A2 (0.67) CTNNB1WNT3AADAM17NR4A2CREBBP
SCHEMBL29456920 0.88 NR4A2 (0.67) CTNNB1WNT3AADAM17NR4A2CREBBP
SCHEMBL8959965 0.86 CTNNB1 (0.68) CTNNB1WNT3AADAM17KDM1ALMNA
SCHEMBL31588418 0.84 CTNNB1 (0.68) CTNNB1WNT3AADAM17NR4A2CREBBP
SCHEMBL15968882 0.83 CTNNB1 (1.00) CTNNB1WNT3AADAM17NR4A2CREBBP
SCHEMBL9633079 0.83 ADAM17 (0.73) CTNNB1WNT3AADAM17NR4A2CREBBP
SCHEMBL7214385 0.81 ADAM17 (1.00) CTNNB1WNT3AADAM17NR4A2KDM1A
SCHEMBL5220143 0.81 NR4A2 (0.67) NR4A2LMNAMEN1RAB9AKMT2A

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
EP-1618094-B1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INST FOR PHARM DISCOVERY INC (US) 2007-09-05 EP disclosed
US-20050009817-A1 Substituted heteroaryls INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-13 US 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-20050009817-A1 Substituted heteroaryls PTPRS, PTPRO, PTPRR CTNNB1 3737/4885WNT3A 3833/4885ADAM17 4581/4885

“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.