SCHEMBL5023977

SCHEMBL5023977

CC(C)(C)OC(=O)CC1CCC(=O)N(CC(=O)O)c2ccsc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ACE P12821 2/20 0.33
MME P08473 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCKBR P32239 1/20 0.32

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
SCHEMBL5025707 0.81 ITGB3 (0.42) MEN1KMT2AACEMMEMAPT
SCHEMBL5026289 0.81 ITGB3 (0.42) MEN1KMT2AACEMMEMAPT
SCHEMBL5023976 0.81 ITGB3 (0.42) MEN1KMT2AACEMMEMAPT
SCHEMBL5026398 0.78 PTGDR2 (0.39) CCKBR
SCHEMBL5025489 0.76 MTNR1B (0.38) MEN1KMT2AALDH1A1CCKBR
SCHEMBL5025674 0.67 ITGB3 (0.36) MAPTSMN1; SMN2CCKBR
SCHEMBL5030092 0.67 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5025671 0.66 P2RY2 (0.40) MAPTSMN1; SMN2CCKBR
SCHEMBL5025458 0.65 MEN1 (0.43) MEN1KMT2AMAPTSMN1; SMN2CCKBR
SCHEMBL14559237 0.64 GPR119 (0.35) ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B MEN1 4463/4885KMT2A 4698/4885ALDH1A1 2222/4885

“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.