SCHEMBL16011845

SCHEMBL16011845

NC(=O)CSC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.46
▸ HDAC4 P56524 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ PARP1 P09874 1/20 0.43

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
SCHEMBL16011719 0.81 SLC6A3 (0.45) EPHX1SLC6A3PARP1
SCHEMBL10347678 0.80 — —
SCHEMBL1537233 0.79 SLC6A3 (0.61) SLC6A3
SCHEMBL11087529 0.78 HDAC4 (0.49) EPHX1HDAC4HDAC7HDAC5CES2
SCHEMBL20747682 0.78 HDAC4 (0.43) EPHX1HDAC4HDAC7HDAC5CES2
SCHEMBL16011850 0.77 SLC6A3 (0.51) EPHX1SLC6A3
SCHEMBL5523612 0.75 EPHX1 (0.49) EPHX1HDAC4HDAC7HDAC5CES2
SCHEMBL6691161 0.75 SLC6A3 (0.56) SLC6A3
SCHEMBL456937 0.74 HDAC4 (0.45) EPHX1HDAC4HDAC7HDAC5CES2
SCHEMBL3443316 0.73 L3MBTL1 (0.60) EPHX1HDAC4HDAC7HDAC5CES2

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-11555013-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof THE USA, AS REPRESENTED BY THE SECRETARY, DHHS (US) 2023-01-17 — — US disclosed
EP-2964611-B1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF US HEALTH (US) 2022-10-19 — — EP disclosed
US-20210130288-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-05-06 — — US disclosed
US-10913711-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-09 — — US disclosed
US-10590074-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-03-17 — — US disclosed
US-20190185424-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2019-06-20 — — US disclosed
US-20180093947-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF US HEALTH (US) 2018-04-05 — — US disclosed
US-9862679-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH (US) 2018-01-09 — — US disclosed
US-20160009644-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF The United States of America, as represented by th Secretary, Department of Health and Human Service (US) 2016-01-14 — — US disclosed
EP-2964611-A2 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2016-01-13 — — EP disclosed
WO-2014138518-A2 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-09-12 — — 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 (7 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-20190185424-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC6A2, SLC6A4, SLC6A3 EPHX1 2980/4885HDAC4 1744/4885HDAC7 1915/4885
US-10590074-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof SLC6A2, SLC6A4, SLC6A3 EPHX1 2980/4885HDAC4 1744/4885HDAC7 1915/4885
US-20210130288-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC6A2, SLC6A4, SLC6A3 EPHX1 2980/4885HDAC4 1744/4885HDAC7 1915/4885
US-20160009644-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC6A2, SLC6A4, SLC6A3 EPHX1 2980/4885HDAC4 1744/4885HDAC7 1915/4885
US-11555013-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof SLC6A2, SLC6A4, SLC6A3 EPHX1 2980/4885HDAC4 1744/4885HDAC7 1915/4885
US-20180093947-A1 POTENT AND SELECTIVE INHIBITORS OF MONOAMINE TRANSPORTERS; METHOD OF MAKING; AND USE THEREOF SLC6A2, SLC6A4, SLC6A3 EPHX1 2980/4885HDAC4 1744/4885HDAC7 1915/4885
US-10913711-B2 Potent and selective inhibitors of monoamine transporters; method of making; and use thereof SLC6A2, SLC6A4, SLC6A3 EPHX1 2980/4885HDAC4 1744/4885HDAC7 1915/4885

“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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