SCHEMBL5533561

SCHEMBL5533561

CC(=O)N1CCN(c2ccc(OCC(=O)O)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.63
ITGA2B P08514 2/20 0.63
MAPK1 P28482 4/20 0.60
GFER P55789 3/20 0.56
CASP6 P55212 1/20 0.56
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ME2 P23368 1/20 0.56
ME1 P48163 1/20 0.56
ME3 Q16798 1/20 0.56
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
USP2 O75604 1/20 0.55
HIF1A Q16665 1/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 3/20 0.54
ALOX15 P16050 3/20 0.54
ALOX12 P18054 3/20 0.54
NPSR1 Q6W5P4 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
SCHEMBL14207944 0.85 MAPT (0.60) MAPK1GFERCASP6ALDH1A1MEN1
SCHEMBL14922315 0.85 ITGB3 (0.66) ITGB3ITGA2BMAPK1MEN1KMT2A
SCHEMBL5527577 0.83 NPSR1 (0.60) MAPK1GFERCASP6ALDH1A1MEN1
SCHEMBL12206749 0.82 MAPT (0.77) MAPK1GFERCASP6ALDH1A1ME2
SCHEMBL21987030 0.82 ITGB3 (0.62) ITGB3ITGA2BMAPK1ALDH1A1MEN1
SCHEMBL10914118 0.81 MAPT (0.60) MAPK1GFERCASP6ALDH1A1MEN1
SCHEMBL6132675 0.81 MAPT (0.63) MAPK1GFERCASP6ALDH1A1MEN1
SCHEMBL30862674 0.81 MAPT (0.63) MAPK1GFERCASP6ALDH1A1MEN1
Hydrochloric Acid SCHEMBL11826017 0.80 ITGB3 (0.63) ITGB3ITGA2BMAPK1ALDH1A1MEN1
SCHEMBL5257671 0.80 GFER (0.54) MAPK1GFERCASP6ALDH1A1MEN1

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 8 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
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 (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-20040034050-A1 Homo-camptothecin derivatives CYP8B1, HCAR3, MTHFD2 ITGB3 3911/4885ITGA2B 4423/4885MAPK1 3592/4885

“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.