SCHEMBL3834572

SCHEMBL3834572

CCOC(=O)CC(NC(=O)CNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
CTSK P43235 3/20 0.44
CTSS P25774 1/20 0.44
LMNA P02545 1/20 0.43
SLC6A9 P48067 1/20 0.43
TSHR P16473 1/20 0.42
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
PPID Q08752 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
KCNK3 O14649 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL21350185 1.00 SYK (0.44) SYKCTSKCTSSLMNASLC6A9
SCHEMBL13929424 0.88 TSHR (0.51) SYKCTSKCTSSLMNATSHR
SCHEMBL27763891 0.88 TSHR (0.51) SYKCTSKCTSSLMNATSHR
SCHEMBL1274264 0.88 TSHR (0.51) SYKCTSKCTSSLMNATSHR
SCHEMBL6737615 0.87 CYP3A4 (0.42) LMNATSHRGAASMN1; SMN2CYP3A4
SCHEMBL7379559 0.87 CYP3A4 (0.42) LMNATSHRGAASMN1; SMN2CYP3A4
SCHEMBL18989460 0.87 SMN1; SMN2 (0.48) SYKCTSKCTSSLMNASLC6A9
SCHEMBL18989461 0.87 SMN1; SMN2 (0.48) SYKCTSKCTSSLMNASLC6A9
SCHEMBL16918583 0.84 HTT (0.39) SYKCTSKTSHRMAPTCYP2C19
SCHEMBL28159747 0.84 HTT (0.39) SYKCTSKTSHRMAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 EP disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20060189544-A1 Integrin-Mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 US disclosed
CN-1402643-A Integrin-mediated drug targeting BAYER AG (DE) 2003-03-12 CN disclosed
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP disclosed
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 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-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 SYK 995/4885CTSK 244/4885CTSS 277/4885

“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.