SCHEMBL3643393

SCHEMBL3643393

CC(C)(C)OC(=O)CN(Cc1ccccc1)C1CCC(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ AKT1 P31749 2/20 0.39
▸ CTSL P07711 2/20 0.38
▸ CTSB P07858 2/20 0.38
▸ CTSS P25774 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ YTHDC1 Q96MU7 1/20 0.37
▸ STS P08842 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL20506813 0.79 ABCB1 (0.46) ABCB1JAK2JAK1KMT2AMEN1
SCHEMBL20506814 0.79 ABCB1 (0.46) ABCB1JAK2JAK1KMT2AMEN1
SCHEMBL20506783 0.79 ABCB1 (0.46) ABCB1JAK2JAK1KMT2AMEN1
SCHEMBL24126275 0.77 AKT1 (0.43) ABCB1JAK2JAK1KMT2AMEN1
SCHEMBL8416981 0.77 AKT1 (0.43) ABCB1JAK2JAK1KMT2AMEN1
SCHEMBL15707864 0.77 AKT1 (0.43) ABCB1JAK2JAK1KMT2AMEN1
SCHEMBL1543215 0.77 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1L3MBTL1YTHDC1
SCHEMBL13240737 0.77 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1L3MBTL1YTHDC1
SCHEMBL20506828 0.77 ABCB1 (0.46) ABCB1JAK2JAK1KMT2AAKT1
Hydrochloric Acid SCHEMBL1543621 0.76 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1L3MBTL1YTHDC1

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
US-8691756-B2 Macrocycles and their uses NOVARTIS AG (CH) 2014-04-08 — — US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 — — US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 — — US disclosed
EP-2170907-A2 MACROCYCLES AND THEIR USES Novartis Ag (CH) 2010-04-07 — — EP disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 — — US disclosed
WO-2008148754-A2 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2008-12-11 — — 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 (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-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC ABCB1 287/4885JAK2 522/4885JAK1 3057/4885
US-20090186830-A1 MACROCYCLES AND THEIR USES CYP11B2, OAT, CYP27A1 ABCB1 214/4885JAK2 1129/4885JAK1 3125/4885

“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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