SCHEMBL2798332

SCHEMBL2798332

CNC(=O)C1(NC(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
P2RX7 Q99572 6/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
ATM Q13315 1/20 0.45
YAP1 P46937 1/20 0.45
BACE1 P56817 1/20 0.44
TACR1 P25103 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
STS P08842 1/20 0.44

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
SCHEMBL2206561 0.90 MEN1 (0.47) CTSLCTSBCTSSP2RX7MEN1
SCHEMBL21009793 0.89 MEN1 (0.46) CTSLCTSBCTSSP2RX7MEN1
SCHEMBL2208865 0.88 OPRD1 (0.47) CTSLCTSBCTSSP2RX7MEN1
SCHEMBL2797417 0.88 MEN1 (0.46) CTSLCTSBCTSSP2RX7MEN1
SCHEMBL4569994 0.88 CTSS (0.51) CTSLCTSBCTSSP2RX7MEN1
SCHEMBL606258 0.87 P2RX7 (0.45) CTSLCTSBCTSSP2RX7MEN1
SCHEMBL6507749 0.87 MEN1 (0.44) CTSLCTSBCTSSP2RX7MEN1
SCHEMBL17766785 0.87 OPRD1 (0.46) CTSLCTSBCTSSP2RX7MEN1
SCHEMBL551650 0.85 MEN1 (0.48) P2RX7MEN1KMT2ATSHRALOX15
SCHEMBL30327767 0.84 MAPT (0.51) CTSLCTSBCTSSP2RX7TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 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 (3 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 CTSL 4208/4885CTSB 4230/4885CTSS 3946/4885
US-20070129345-A1 Lactam compounds and methods of using the same HSD11B1, HSD17B11, HSD17B1 CTSL 3454/4885CTSB 2823/4885CTSS 2933/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 CTSL 3344/4885CTSB 1723/4885CTSS 1642/4885

“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.