SCHEMBL4326072

SCHEMBL4326072

COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 9/20 1.00
▸ TSHR P16473 2/20 1.00
▸ FSHR P23945 2/20 0.64
▸ BRAF P15056 2/20 0.53
▸ PDE4A P27815 1/20 0.53
▸ PDE4B Q07343 1/20 0.53
▸ PDE4C Q08493 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ CHRM4 P08173 2/20 0.44
▸ MAPT P10636 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RXFP1 Q9HBX9 3/20 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
SCHEMBL32156160 1.00 LHCGR (1.00) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL5037092 0.93 LHCGR (0.87) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4327416 0.91 LHCGR (0.83) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL17467741 0.91 LHCGR (0.82) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL5043515 0.90 LHCGR (0.82) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4322522 0.90 LHCGR (0.81) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4421168 0.90 LHCGR (0.84) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4429897 0.89 LHCGR (0.80) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4315364 0.89 LHCGR (1.00) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4313210 0.88 LHCGR (1.00) LHCGRTSHRFSHRBRAFPDE4A

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
US-9458141-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-10-04 — — US disclosed
US-9458141-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-10-04 — — US disclosed
US-9296729-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-03-29 — — US disclosed
US-9296729-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-03-29 — — US disclosed
US-20160024023-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF 2016-01-28 — — US disclosed
US-20160024023-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF 2016-01-28 — — US disclosed
US-9187457-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 — — US disclosed
US-9187457-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 — — US disclosed
US-20140301944-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2014-10-09 — — US disclosed
US-20140301944-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2014-10-09 — — US disclosed
US-8741259-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists FORSCHUNGSVERBUND BERLIN E.V. (DE) 2014-06-03 — — US disclosed
US-8741259-B2 Low molecular weight thyroid stimulating hormone receptor (TSHR) agonists FORSCHUNGSVERBUND BERLIN E.V. (DE) 2014-06-03 — — US disclosed
US-20130251631-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2013-09-26 — — US disclosed
US-20130251631-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2013-09-26 — — US disclosed
US-20110195018-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-08-11 — — US disclosed
US-20110195018-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-08-11 — — US disclosed
US-20090203716-A1 Pyrimidine low molecular weight ligands for modulating hormone receptors The Government of the United States of America as represented by the Secretary of the 2009-08-13 — — 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 (5 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-20140301944-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS TSHR, THRA, TRHR LHCGR 22/4885TSHR 1/4885FSHR 6/4885
US-20160024023-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS TSHR, THRA, TRHR LHCGR 22/4885TSHR 1/4885FSHR 6/4885
US-20110195018-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS TSHR, THRA, TRHR LHCGR 22/4885TSHR 1/4885FSHR 6/4885
US-20130251631-A1 LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS TSHR, THRA, TRHR LHCGR 22/4885TSHR 1/4885FSHR 6/4885
US-20090203716-A1 Pyrimidine low molecular weight ligands for modulating hormone receptors FSHR, TSHR, TRHR LHCGR 5/4885TSHR 2/4885FSHR 1/4885

“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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