SCHEMBL5847699

SCHEMBL5847699

CCOC(=O)CC(CC(=O)CCl)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 1/20 0.44
OGA O60502 2/20 0.43
MAPK9 P45984 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6218817 1.00 RAB9A (0.47) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL6265628 0.94 RAB9A (0.52) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL6219355 0.90 RAB9A (0.50) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL8348199 0.90 RAB9A (0.50) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL5847401 0.89 KMT2A (0.56) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL5847407 0.89 KMT2A (0.56) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL6220378 0.83 KMT2A (0.53) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL5847398 0.83 KMT2A (0.54) CYP1A2CYP2C9CYP2C19HTTKMT2A
SCHEMBL3144643 0.81 RAB9A (0.50) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL8249411 0.81 RAB9A (0.50) RAB9ANPC1CYP3A4CYP1A2CYP2D6

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 4 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-1572690-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-06 US disclosed
WO-2004058760-A1 THIAZOLE COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES 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 (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-20050004189-A1 Thiazole compounds as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGAL RAB9A 1427/4885NPC1 1297/4885CYP3A4 2247/4885

“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.