SCHEMBL16612622

SCHEMBL16612622

CCOC(=O)Cn1cc(CO)nn1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
SRC P12931 1/20 0.46
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
NOTUM Q6P988 3/20 0.42
EP300 Q09472 7/20 0.41
MAPK14 Q16539 1/20 0.41
GLA P06280 1/20 0.40
P2RX7 Q99572 1/20 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
SCHEMBL14788175 0.89 MAPK1 (0.51) MAPK1SRCPKMATMHSD17B10
SCHEMBL23069262 0.86 CYP19A1 (0.47) MAPK1SRCPKMATMHSD17B10
SCHEMBL15121329 0.86 SRC (0.47) MAPK1SRCPKMATMHSD17B10
SCHEMBL16612208 0.86 MAPK1 (0.45) MAPK1SRCPKMATMHSD17B10
SCHEMBL12847886 0.85 SRC (0.44) MAPK1SRCPKMATMHSD17B10
SCHEMBL27646903 0.84 P2RX7 (0.45) NOTUMP2RX7
SCHEMBL16033032 0.84 GGPS1 (0.48) MAPK1SRCEP300
SCHEMBL21063655 0.84 SRC (0.44) MAPK1SRCPKMATMHSD17B10
SCHEMBL14104171 0.82 SRC (0.43) MAPK1SRCPKMATMHSD17B10
SCHEMBL908777 0.82 MAPK1 (0.50) MAPK1SRCPKMATMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114616227-A Nitrification inhibitors 墨尔本大学 2022-06-10 CN claimed
CN-114616227-A Nitrification inhibitors 墨尔本大学 2022-06-10 CN disclosed
EP-3347008-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2022-03-09 EP disclosed
US-11046716-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2021-06-29 US disclosed
US-11046716-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2021-06-29 US disclosed
US-20200055877-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-20 US disclosed
US-20200055877-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-20 US disclosed
US-10399996-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-09-03 US disclosed
US-10399996-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-09-03 US disclosed
EP-3347008-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2018-07-18 EP disclosed
US-20170073360-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 US disclosed
US-20170073360-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 US disclosed
US-20170073360-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 US disclosed
WO-2017044828-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-03-16 WO disclosed
WO-2017044828-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-03-16 WO disclosed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP disclosed
EP-2857388-A1 Azoles containing sulfone Grünenthal GmbH (DE) 2015-04-08 EP 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 (4 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-10399996-B2 Beta-lactamase inhibitors MGAM, GAA, LCT MAPK1 4548/4885SRC 4206/4885PKM 2485/4885
US-20170073360-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT MAPK1 4548/4885SRC 4206/4885PKM 2485/4885
US-20200055877-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT MAPK1 4548/4885SRC 4206/4885PKM 2485/4885
US-11046716-B2 Beta-lactamase inhibitors MGAM, GAA, LCT MAPK1 4548/4885SRC 4206/4885PKM 2485/4885

“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.