SCHEMBL7239087

SCHEMBL7239087

CCOC(=O)[C@H](Cc1ccccc1)n1ccc2cc[nH]c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
BRD4 O60885 1/20 0.40
TAF1 P21675 1/20 0.40
BRPF1 P55201 1/20 0.40
CREBBP Q92793 1/20 0.40
CECR2 Q9BXF3 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
MMP8 P22894 1/20 0.40
HSD11B1 P28845 1/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTPN7 P35236 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL16137853 0.74 HSD17B10 (0.47) MMP8HSD11B1HSD17B10KDM4EMEN1
SCHEMBL24020758 0.70 BRD4 (0.41) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL29063028 0.70 BRD4 (0.41) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL29062925 0.68 BRD4 (0.41) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL24020756 0.68 BRD4 (0.41) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL24823520 0.68 TP53 (0.41) MMP8HSD11B1HSD17B10KDM4EMEN1
SCHEMBL892960 0.67 MMP8 (0.61) MMP8HSD17B10MEN1POLBMAPT
SCHEMBL19026256 0.66 LMNA (0.48) ELANEMMP8HSD11B1HSD17B10KDM4E
SCHEMBL9309772 0.66 SLC6A4 (0.50) MMP8HSD17B10KDM4EMEN1POLB
SCHEMBL23106141 0.66 KDM4E (0.35) MMP8HSD11B1KDM4EMEN1POLB

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-6514997-B2 Block the activity of picornaviral 3C protease AGOURON PHARMACEUTICALS, INC. 2003-02-04 US disclosed
EP-1252145-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2001-11-29 US disclosed
WO-2001040189-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 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-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis RNASE1, SERPINB1, RNASEH1 ELANE 250/4885BRD4 2276/4885TAF1 2718/4885

“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.