SCHEMBL5490076

SCHEMBL5490076

CC(=O)c1ccc(C(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
STAT3 P40763 1/20 0.40
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
CA14 Q9ULX7 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL10494053 0.90 STAT3 (0.45) RAB9ANPC1HPGDSMN1; SMN2STAT3
SCHEMBL14966802 0.88 STAT3 (0.39) RAB9ANPC1HPGDSMN1; SMN2STAT3
SCHEMBL1018458 0.87 TSHR (0.50) RAB9ANPC1HPGDSMN1; SMN2STAT3
SCHEMBL18398074 0.87 HDAC8 (0.43) ESRRASMN1; SMN2STAT3MAPTCA12
SCHEMBL1017951 0.86 PDK1 (0.49) RAB9ANPC1HPGDSMN1; SMN2STAT3
SCHEMBL14721706 0.83 CA12 (0.40) ESRRARAB9ANPC1HPGDMAPT
SCHEMBL1020385 0.83 AURKA (0.43) RAB9ANPC1HPGDSMN1; SMN2STAT3
SCHEMBL5781341 0.83 KDM4E (0.49) RAB9AHPGDSMN1; SMN2STAT3L3MBTL1
SCHEMBL3843873 0.81 NR1H4 (0.54) RAB9ANPC1HPGDSMN1; SMN2CASP3
SCHEMBL3116280 0.81 MAPT (0.50) RAB9ANPC1HPGDSMN1; SMN2CASP3

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
WO-2017016883-A1 PROCESS FOR PREPARATION OF CYCLOPENTENE COMPOUNDS BASF SE (DE) 2017-02-02 WO disclosed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP disclosed
EP-1063982-B1 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH INC (US) 2007-02-14 EP disclosed
US-20050203135-A1 Antagonists for treatment of CD/11CD18 adhesion receptor mediated disorders GENENTECH, INC. 2005-09-15 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-20050203135-A1 Antagonists for treatment of CD/11CD18 adhesion receptor mediated disorders VCAM1, CD58, ITGB8 ESRRA 2007/4885RAB9A 969/4885NPC1 2175/4885

“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.