SCHEMBL1027341

SCHEMBL1027341

O=C(O)c1ccc2c(c1)CN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 17/20 0.63
SIGMAR1 Q99720 17/20 0.63
HRH1 P35367 4/20 0.63
HRH3 Q9Y5N1 4/20 0.63
HRH2 P25021 3/20 0.63
HTR1A P08908 2/20 0.63
ADRA2C P18825 2/20 0.63
ADRA2A P08913 1/20 0.63
ADRA2B P18089 1/20 0.63
DRD1 P21728 1/20 0.63
HTR1B P28222 1/20 0.63
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
HTR1E P28566 1/20 0.63
SLC6A4 P31645 1/20 0.63
HTR2B P41595 1/20 0.63
ADRB1 P08588 1/20 0.55
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53
MAP3K5 Q99683 1/20 0.51

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
SCHEMBL1793928 0.90 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1027550 0.90 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL20570718 0.90 TMEM97 (0.61) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL2281885 0.87 TMEM97 (0.61) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL21800344 0.86 TMEM97 (0.66) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL324086 0.85 TMEM97 (0.64) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1506610 0.84 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1017246 0.84 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31129893 0.84 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL29469365 0.84 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414435-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-08-16 US disclosed
US-20200317698-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-08 US disclosed
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
EP-2943204-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2019-03-13 EP disclosed
US-20180362503-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-12-20 US disclosed
WO-2018218051-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-11-29 WO disclosed
US-10125152-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-11-13 US disclosed
US-10093685-B2 2018-10-09 US disclosed
US-20170342093-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 US disclosed
US-9771382-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-09-26 US disclosed
US-8575193-B2 N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2013-11-05 US disclosed
US-8575193-B2 N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2013-11-05 US disclosed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 US disclosed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 US disclosed
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-08-18 US disclosed
EP-2274283-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2011-01-19 EP disclosed
WO-2009112550-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2009-09-17 WO disclosed
WO-2009112550-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS 4SC AG (DE) 2009-09-17 WO disclosed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 EP disclosed
EP-2100879-A1 Novel N-substituted tetrahydroisoquinoline/isoindoline hydroxamic acid compounds 4SC AG (DE) 2009-09-16 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 (8 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-20170342093-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TMEM97 4099/4885SIGMAR1 3058/4885HRH1 3954/4885
US-10093685-B2 MRPL21, GAA, MGAM TMEM97 3723/4885SIGMAR1 2343/4885HRH1 4056/4885
US-20180362503-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, AIFM1, BCL2 TMEM97 2280/4885SIGMAR1 1703/4885HRH1 4510/4885
US-10125152-B2 Beta-lactamase inhibitors MGAM, GAA, LCT TMEM97 4099/4885SIGMAR1 3058/4885HRH1 3954/4885
US-20200317698-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT TMEM97 4099/4885SIGMAR1 3058/4885HRH1 3954/4885
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 TMEM97 2280/4885SIGMAR1 1703/4885HRH1 4510/4885
US-11414435-B2 Beta-lactamase inhibitors MGAM, GAA, LCT TMEM97 4099/4885SIGMAR1 3058/4885HRH1 3954/4885
US-20110201643-A1 NOVEL N-SUBSTITUTED TETRAHYDROISOQUINOLINE/ISOINDOLINE HYDROXAMIC ACID COMPOUNDS HDAC1, HDAC3, HDAC4 TMEM97 3168/4885SIGMAR1 1674/4885HRH1 450/4885

“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.