Sugi Predict

Sugi Predict / Compounds / SCHEMBL5533536

SCHEMBL5533536

SCHEMBL5533536

O=C(O)C(Br)Oc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.51
▸ PPARA Q07869 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.46
▸ LDHA P00338 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NR4A2 P43354 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.36
▸ BAD Q92934 1/20 0.36

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
SCHEMBL5319015 0.81 CYP1A2 (0.46) PPARGPPARALDHACYP1A2GAA
SCHEMBL5532010 0.80 PPARG (0.54) PPARGPPARALDHA
SCHEMBL2110780 0.79 PPARG (0.55) PPARGPPARAALDH1A1LDHASLC6A4
SCHEMBL11515860 0.78 ALDH1A1 (0.45) PPARGPPARAALDH1A1NPSR1SLC6A4
SCHEMBL5529146 0.77 NPSR1 (0.45) PPARGPPARAALDH1A1NPSR1CYP1A2
SCHEMBL9721990 0.76 PPARG (0.51) PPARGPPARAALDH1A1LDHANPSR1
SCHEMBL9819072 0.76 CYP1A2 (0.65) PPARGPPARAALDH1A1NPSR1CYP1A2
SCHEMBL9818914 0.76 CYP1A2 (0.65) PPARGPPARAALDH1A1NPSR1CYP1A2
SCHEMBL3081885 0.76 CYP1A2 (0.65) PPARGPPARAALDH1A1NPSR1CYP1A2
SCHEMBL4180715 0.76 PPARG (0.64) PPARGPPARAALDH1A1

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 PPARG 1875/4885PPARA 1666/4885ALDH1A1 514/4885

“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.