SCHEMBL6488149

SCHEMBL6488149

COC(=O)c1cc2ccc(NC(=O)c3ccc4[nH]c(C(=O)Nc5ccc6cc(C(=O)OC)[nH]c6c5)cc4c3)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.55
LEF1 Q9UJU2 1/20 0.53
EGFR P00533 3/20 0.53
PIK3CA P42336 3/20 0.53
TP53 P04637 2/20 0.53
PLD2 O14939 1/20 0.53
PLD1 Q13393 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
KDM4E B2RXH2 3/20 0.51
NHERF1 O14745 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PRNP P04156 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PTPN11 Q06124 1/20 0.49
POLB P06746 2/20 0.48

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
SCHEMBL5896468 0.86 MMP13 (0.46) ABL1LEF1EGFRPIK3CATP53
SCHEMBL5896935 0.84 LEF1 (0.58) ABL1LEF1EGFRPIK3CATP53
SCHEMBL5889575 0.82 MMP13 (0.72) TP53PLD2PLD1NPC1RAB9A
SCHEMBL6617197 0.81 LEF1 (0.58) LEF1TP53NPC1RAB9AKDM4E
SCHEMBL5889537 0.81 KDM4E (0.51) EGFRPIK3CAPLD2PLD1KDM4E
SCHEMBL5896945 0.80 LEF1 (0.56) ABL1LEF1EGFRPIK3CATP53
SCHEMBL5889578 0.80 HTR2C (0.61) EGFRPIK3CAPLD2PLD1NPC1
SCHEMBL8205048 0.80 NHERF1 (0.64) EGFRPIK3CATP53PLD2PLD1
SCHEMBL8204629 0.80 MMP13 (0.76) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL23045602 0.79 MMP13 (0.60) TP53NPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 ABL1 2759/4885LEF1 1481/4885EGFR 923/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 ABL1 2759/4885LEF1 1481/4885EGFR 923/4885

“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.