Sugi Predict

Sugi Predict / Compounds / SCHEMBL5533571

SCHEMBL5533571

SCHEMBL5533571

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.40
▸ PPARG P37231 5/20 0.40
▸ PPARD Q03181 4/20 0.40
▸ FAAH O00519 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAOB P27338 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NR4A2 P43354 1/20 0.36
▸ ELANE P08246 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
SCHEMBL27571634 0.75 GAA (0.44) PPARAPPARGPPARDGAAKDM4E
SCHEMBL27845063 0.74 PPARA (0.46) PPARAPPARGPPARDGAAMAOB
SCHEMBL2106690 0.73 ADORA3 (0.58) PPARAPPARGPPARDKDM4ESMN1; SMN2
SCHEMBL2106685 0.73 ADORA3 (0.58) PPARAPPARGPPARDKDM4ESMN1; SMN2
SCHEMBL19262085 0.72 CYP1A2 (0.37) PPARAPPARGPPARDFAAHGAA
SCHEMBL3158911 0.72 PPARA (0.67) PPARAPPARGPPARDKDM4EMEN1
SCHEMBL10440740 0.70 PPARG (0.42) PPARAPPARGPPARDMEN1CYP1A2
SCHEMBL2397439 0.70 GAA (0.57) PPARAPPARGPPARDGAAMEN1
SCHEMBL3997259 0.69 HTR7 (0.44) GAASMN1; SMN2HPGDHTR7MEN1
SCHEMBL11994174 0.69 KCNN4 (0.41) GAAKDM4ESMN1; SMN2HPGDHTR7

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 PPARA 1666/4885PPARG 1875/4885PPARD 3162/4885

“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.