SCHEMBL2706347

SCHEMBL2706347

CC(C)(C)OC(=O)N[C@@H](CNCc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.70
PPARA Q07869 5/20 0.59
PPARG P37231 4/20 0.59
ACE P12821 1/20 0.58
CTSK P43235 6/20 0.56
CTSS P25774 6/20 0.54
CTSB P07858 2/20 0.54
CTSL P07711 1/20 0.54
PPARD Q03181 2/20 0.54
APP P05067 2/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA7 P43166 1/20 0.51
CA14 Q9ULX7 1/20 0.51
IDO1 P14902 1/20 0.49

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
SCHEMBL23415297 1.00 ATM (0.70) ATMPPARAPPARGACECTSK
SCHEMBL23415300 1.00 ATM (0.70) ATMPPARAPPARGACECTSK
SCHEMBL29901268 0.90 ATM (0.67) ATMPPARAPPARGACECTSK
SCHEMBL9977267 0.90 ATM (0.67) ATMPPARAPPARGACECTSK
SCHEMBL203084 0.90 ATM (0.67) ATMPPARAPPARGACECTSK
SCHEMBL29865344 0.87 ATM (0.60) ATMPPARAPPARGACECTSK
SCHEMBL23300975 0.85 ATM (0.72) ATMPPARAPPARGACECTSK
SCHEMBL22536357 0.85 ATM (0.72) ATMPPARAPPARGACECTSK
SCHEMBL13257949 0.85 ATM (0.72) ATMPPARAPPARGACECTSK
SCHEMBL4705420 0.84 ATM (0.51) ATMPPARAPPARGACECTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4294802-A1 CRYPTOPHYCIN COMPOUNDS AND CONJUGATES THEREOF Universität Bielefeld (DE) 2023-12-27 EP disclosed
WO-2022175222-A1 CRYPTOPHYCIN COMPOUNDS AND CONJUGATES THEREOF UNIVERSITÄT BIELEFELD (DE) 2022-08-25 WO disclosed
WO-2017189868-A1 SERINE REPLACEMENT POLYMYXIN ANALOGUES USEFUL AS ANTIBIOTIC POTENTIATORS SPERO OPCO (US) 2017-11-02 WO disclosed
US-8476225-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-07-02 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885PPARA 2980/4885PPARG 3490/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885PPARA 2980/4885PPARG 3490/4885

“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.