SCHEMBL5536307

SCHEMBL5536307

O=C(O)C(O)c1nc2ccccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
HIF1A Q16665 1/20 0.66
HSD17B10 Q99714 1/20 0.66
APEX1 P27695 1/20 0.57
ALOX5 P09917 1/20 0.52
GAA P10253 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
RAB9A P51151 5/20 0.48
CSNK1D P48730 1/20 0.47
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46

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
SCHEMBL11352109 0.85 HPGD (0.57) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL11697365 0.81 HPGD (0.60) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL5687666 0.81 HPGD (0.60) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL11191161 0.81 HPGD (0.60) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL5159135 0.81 HPGD (0.60) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL3963337 0.81 HPGD (0.60) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL9306307 0.80 HPGD (0.58) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL9306298 0.80 HPGD (0.58) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL10495251 0.79 HPGD (0.53) HPGDCYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL3787121 0.78 HPGD (0.56) HPGDCYP1A2CYP2C9CYP2C19HIF1A

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 9 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
EP-0586911-A1 Polyacrylamide soil modifiers enhanced with nutrients CYTEC TECHNOLOGY CORP. (US) 1994-03-16 EP 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 HPGD 54/4885CYP1A2 707/4885CYP2C9 485/4885

“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.