SCHEMBL4895148

SCHEMBL4895148

CC(C)(C)OC(=O)NCCCCCCC(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.63
▸ MAPT P10636 2/20 0.61
▸ POLB P06746 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ CTRB1 P17538 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KLK7 P49862 2/20 0.52
▸ KLK5 Q9Y337 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ PAX8 Q06710 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SIRT2 Q8IXJ6 2/20 0.49
▸ SIRT1 Q96EB6 2/20 0.49
▸ FOLH1 Q04609 1/20 0.49
▸ SIRT3 Q9NTG7 1/20 0.48

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
SCHEMBL4103836 0.90 SYK (0.64) SYKMAPTPOLBMAPK1L3MBTL1
SCHEMBL698615 0.90 SYK (0.64) SYKMAPTPOLBMAPK1L3MBTL1
SCHEMBL20364084 0.90 SYK (0.74) SYKMAPTPOLBMAPK1L3MBTL1
SCHEMBL20556374 0.89 SYK (0.63) SYKMAPTPOLBMAPK1L3MBTL1
SCHEMBL20358408 0.89 SYK (0.72) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL19345775 0.89 SYK (0.63) SYKMAPTPOLBMAPK1L3MBTL1
SCHEMBL20365967 0.89 SYK (0.72) SYKMAPTL3MBTL1KLK7KLK5
SCHEMBL20556328 0.89 SYK (0.63) SYKMAPTPOLBMAPK1L3MBTL1
SCHEMBL1134605 0.89 SYK (0.63) SYKMAPTPOLBMAPK1L3MBTL1
SCHEMBL15159959 0.88 ATM (0.62) SYKMAPTATMPAX8TDP1

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-7402673-B2 Diamine β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-22 — — US disclosed
US-20080039495-A1 Diamine Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-02-14 — — US disclosed
EP-1751086-A2 DIAMINE ß2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2007-02-14 — — EP disclosed
WO-2005121065-A2 DIAMINE β2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-12-22 — — WO disclosed
US-20050272769-A1 Diamine beta2 adrenergic receptor agonists THERAVANCE, INC. (US) 2005-12-08 — — 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-20050272769-A1 Diamine beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2C SYK 2923/4885MAPT 1868/4885POLB 905/4885
US-20080039495-A1 Diamine Beta2 Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2C SYK 2923/4885MAPT 1868/4885POLB 905/4885

“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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