SCHEMBL5847401

SCHEMBL5847401

CCOC(=O)C[C@H](CC(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK9 P45984 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
EDNRA P25101 1/20 0.44
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5847407 1.00 KMT2A (0.56) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6265628 0.95 RAB9A (0.52) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6220378 0.92 KMT2A (0.53) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6219355 0.89 RAB9A (0.50) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL5847699 0.89 RAB9A (0.47) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL8348199 0.89 RAB9A (0.50) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL6218817 0.89 RAB9A (0.47) KMT2ANPC1RAB9ACYP1A2CYP3A4
SCHEMBL7815155 0.87 KMT2A (0.57) KMT2ARAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL8798443 0.87 KMT2A (0.57) KMT2ARAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5858099 0.87 KMT2A (0.62) KMT2ARAB9ACYP1A2CYP3A4CYP2D6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115596-B2 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2006-10-03 US disclosed
EP-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 EP disclosed
EP-1572690-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP disclosed
EP-1572691-A1 PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 US disclosed
US-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
WO-2004058761-A1 PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058761-A1 PYRAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO 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 (3 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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGAV, ITGA6 KMT2A 3592/4885NPC1 983/4885RAB9A 1213/4885
US-20050004200-A1 Pyrazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB3, ITGB5 KMT2A 4015/4885NPC1 2030/4885RAB9A 814/4885
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGAL KMT2A 3963/4885NPC1 1297/4885RAB9A 1427/4885

“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.