SCHEMBL16124354

SCHEMBL16124354

C=CCOC(=O)[C@H](Cc1ccc(OC(=O)Oc2ccc(C)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ CTSS P25774 6/20 0.42
▸ CTSK P43235 5/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ ACE P12821 1/20 0.40
▸ BCL2 P10415 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ P2RX7 Q99572 2/20 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
SCHEMBL14933160 1.00 SMN1; SMN2 (0.46) SMN1; SMN2ITGB3ITGA2BPPARGPPARA
SCHEMBL18466600 0.90 HDAC8 (0.44) SMN1; SMN2ITGB3ITGA2BPPARGPPARA
SCHEMBL18466602 0.89 ITGB3 (0.43) SMN1; SMN2ITGB3ITGA2BPPARGPPARA
SCHEMBL28538646 0.88 PPARG (0.47) SMN1; SMN2ITGB3ITGA2BPPARGPPARA
SCHEMBL16124224 0.88 PPARG (0.47) SMN1; SMN2ITGB3ITGA2BPPARGPPARA
SCHEMBL16124245 0.84 CTSS (0.58) SMN1; SMN2ITGB3ITGA2BPPARACTSS
SCHEMBL14582840 0.84 CTSS (0.58) SMN1; SMN2ITGB3ITGA2BPPARACTSS
SCHEMBL7260079 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ITGB3ITGA2BCTSSCTSK
SCHEMBL30638149 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ITGB3ITGA2BCTSSCTSK
SCHEMBL13613759 0.82 PLG (0.45) ITGB3ITGA2BCTSSCTSKABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204137-A1 POLYETHYLENE GLYCOL BASED PRODRUG OF ADRENOMEDULLIN AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-20 — — US disclosed
US-20140287984-A1 POLYETHYLENE GLYCOL BASED PRODRUG OF ADRENOMEDULLIN AND USE THEREOF Bayer Pharmaaktiengesellschaft (DE) 2014-09-25 — — 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 (2 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-20140287984-A1 POLYETHYLENE GLYCOL BASED PRODRUG OF ADRENOMEDULLIN AND USE THEREOF TEK, MPEG1, PROKR1 SMN1; SMN2 4516/4885ITGB3 2250/4885ITGA2B 3579/4885
US-20170204137-A1 POLYETHYLENE GLYCOL BASED PRODRUG OF ADRENOMEDULLIN AND USE THEREOF TEK, MPEG1, PROKR1 SMN1; SMN2 4516/4885ITGB3 2250/4885ITGA2B 3579/4885

“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.

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