SCHEMBL5529529

SCHEMBL5529529

CCOC(=O)COc1ccc(Cl)cc1Br

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.74
TDP1 Q9NUW8 2/20 0.60
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
RAB9A P51151 3/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
NR2F2 P24468 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL1694924 0.85 TDP1 (0.74) GAATDP1ALDH1A1MAPTL3MBTL1
SCHEMBL5416139 0.85 CYP1A2 (0.68) GAATDP1ALDH1A1MAPTLMNA
SCHEMBL5007025 0.85 GAA (0.62) GAATDP1ALDH1A1MAPTRAB9A
SCHEMBL29369910 0.85 TDP1 (0.74) GAATDP1ALDH1A1MAPTL3MBTL1
SCHEMBL28365097 0.85 GAA (0.62) GAATDP1ALDH1A1MAPTRAB9A
SCHEMBL4628356 0.83 GAA (0.54) GAATDP1ALDH1A1MAPTL3MBTL1
SCHEMBL5529143 0.82 PKM (0.66) GAAALDH1A1MAPTRAB9ALMNA
SCHEMBL7714248 0.82 ALDH1A1 (0.56) GAATDP1ALDH1A1MAPTL3MBTL1
SCHEMBL6813621 0.82 ALDH1A1 (0.58) GAATDP1ALDH1A1MAPTLMNA
SCHEMBL23273087 0.82 GAA (0.59) GAATDP1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39707-E1 Camptothecin derivatives CATHOLIC HEALTHCARE WEST (US) 2007-06-26 US disclosed
EP-1353673-B1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2007-04-18 EP disclosed
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 US disclosed
CN-1553802-A Camptothecin derivatives ����������̫ƽ��ҽѧ���� 2004-12-08 CN disclosed
US-20040034050-A1 Homo-camptothecin derivatives CATHOLIC HEALTHCARE WEST, DOING BUSINESS AS ST. MARY'S MEDICAL CENTER OF SAN FRANCISCO 2004-02-19 US disclosed
WO-2003101406-A1 HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO disclosed
EP-1353673-A1 CAMPTOTHECIN DERIVATIVES California Pacific Medical Center (US) 2003-10-22 EP disclosed
WO-2002056885-A1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-07-25 WO disclosed
US-6350756-B1 USEFUL FOR TREATING CANCER; (20S) ESTERS WITH AN OXYALKANOIC ACID; CALIFORNIA PACIFIC MEDICAL CENTER 2002-02-26 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 (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-20040034050-A1 Homo-camptothecin derivatives CYP8B1, HCAR3, MTHFD2 GAA 3986/4885TDP1 1984/4885ALDH1A1 514/4885
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 GAA 637/4885TDP1 2724/4885ALDH1A1 1541/4885

“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.