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SCHEMBL5677246

SCHEMBL5677246

CC(C)(C)OC(=O)n1c(C(=O)O)cc2cc(N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.43
▸ NR1H2 P55055 14/20 0.42
▸ NR1H3 Q13133 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ AURKA O14965 2/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ IKBKE Q14164 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ TAOK1 Q7L7X3 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL23176776 0.89 NR1H2 (0.42) CCR2NR1H2NR1H3AURKACDK2
SCHEMBL29524657 0.89 NR1H2 (0.42) CCR2NR1H2NR1H3AURKACDK2
SCHEMBL6617414 0.87 L3MBTL1 (0.43) NR1H2NR1H3AURKACDK2
SCHEMBL3995157 0.85 NR1H2 (0.42) CCR2NR1H2NR1H3KDM4EALDH1A1
SCHEMBL1565970 0.84 MCL1 (0.57) NR1H2NR1H3KDM4EALDH1A1HPGD
SCHEMBL3023843 0.84 NOD2 (0.45) NR1H2NR1H3KDM4ESMN1; SMN2
SCHEMBL5436506 0.83 NR1H2 (0.44) NR1H2NR1H3AURKACHEK1DAPK3
SCHEMBL13191270 0.82 NR1H2 (0.43) NR1H2NR1H3AURKACHEK1DAPK3
SCHEMBL28998662 0.82 NR1H2 (0.43) NR1H2NR1H3AURKACHEK1DAPK3
SCHEMBL29781083 0.82 NR1H2 (0.55) NR1H2NR1H3ALDH1A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 — — US disclosed
EP-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 — — EP disclosed
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 — — US disclosed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 — — EP disclosed
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
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 — — WO disclosed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 — — US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 — — US disclosed
CN-1439006-A Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECH INC (US) 2003-08-27 — — CN disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 — — WO 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 (4 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-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity ZC3HAV1, TYR, ZC3HAV1L CCR2 1366/4885NR1H2 3556/4885NR1H3 3619/4885
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 CCR2 3388/4885NR1H2 2692/4885NR1H3 2758/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 CCR2 3388/4885NR1H2 2692/4885NR1H3 2758/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 CCR2 1864/4885NR1H2 1562/4885NR1H3 1644/4885

“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.