Sugi Predict

Sugi Predict / Compounds / SCHEMBL5536693

SCHEMBL5536693

SCHEMBL5536693

CCOC(=O)COc1ccc(C#N)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ KDM4E B2RXH2 6/20 0.50
▸ HSD17B10 Q99714 5/20 0.50
▸ GAA P10253 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.49
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ HPGD P15428 6/20 0.46
▸ MAPT P10636 4/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.45

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
SCHEMBL5390755 0.86 NPC1 (0.50) ALDH1A1KDM4EHSD17B10GAAMEN1
SCHEMBL4950133 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10GAAMEN1
SCHEMBL17973238 0.83 KDM4E (0.57) ALDH1A1KDM4EHSD17B10GAAMAPK1
SCHEMBL29347118 0.83 TRPA1 (0.46) HSD17B10CYP11B1CYP11B2NPC1RAB9A
SCHEMBL8251631 0.81 GAA (0.56) ALDH1A1KDM4EHSD17B10GAAMAPK1
SCHEMBL2113928 0.81 PTPN7 (0.49) HSD17B10L3MBTL1CYP11B1CYP11B2MAPT
SCHEMBL7323185 0.81 CYP11B1 (0.65) ALDH1A1GAAMEN1KMT2ACYP11B1
SCHEMBL903866 0.79 GAA (0.53) ALDH1A1KDM4EHSD17B10GAAMEN1
SCHEMBL16569366 0.79 KDM4E (0.53) ALDH1A1KDM4EHSD17B10GAAMAPK1
SCHEMBL1257644 0.79 KDM4E (0.56) ALDH1A1KDM4EHSD17B10GAAMAPK1

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 ALDH1A1 514/4885KDM4E 4030/4885HSD17B10 9/4885

“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.