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Sugi Predict / Compounds / SCHEMBL1999761

SCHEMBL1999761

SCHEMBL1999761

CC(C)(C)N1C(=O)C(NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ GPR6 P46095 1/20 0.44
▸ CCNK O75909 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL1999764 0.91 NOS1 (0.45) NOS1NOS2PDK1PDK2PDK3
SCHEMBL2004349 0.84 NR1H2 (0.40) NOS2LMNAMEN1KMT2AALDH1A1
SCHEMBL1999995 0.81 NR1H2 (0.49) NOS1NOS2EPHX2LMNAMEN1
SCHEMBL1999940 0.75 MEN1 (0.45) GPR6LMNAMEN1KMT2AALDH1A1
SCHEMBL2003820 0.74 ACHE (0.48) CCNKCDK12PRKAB2PRKAG1PRKAA2
SCHEMBL2004351 0.74 NR1H2 (0.52) NOS2LMNAMEN1KMT2AALDH1A1
SCHEMBL2001465 0.72 ABCB1 (0.39) EPHX2ALDH1A1POLB
SCHEMBL2003038 0.72 NR1H2 (0.42) NOS1NOS2GPR6LMNAMEN1
SCHEMBL1998025 0.71 BCHE (0.44) MEN1KMT2AKDM1AALDH1A1SMN1; SMN2
SCHEMBL1998440 0.71 NR1H2 (0.48) EPHX2LMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 — — US claimed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 — — US claimed
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2023-10-26 — — US disclosed
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 — — US disclosed
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. 2019-05-02 — — US disclosed
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 — — US disclosed
WO-2018222975-A1 METHODS FOR THE TREATMENT OF CANCER RGENIX, INC. (US) 2018-12-06 — — WO disclosed
EP-3402477-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS The Rockefeller University (US) 2018-11-21 — — EP disclosed
WO-2017123568-A2 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2017-07-20 — — WO disclosed
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 — — WO disclosed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 — — US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 — — US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 — — US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 — — 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 (6 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NOS1 87/4885NOS2 73/4885PDK1 610/4885
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 NOS1 1104/4885NOS2 1111/4885PDK1 464/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 NOS1 1104/4885NOS2 1111/4885PDK1 464/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 NOS1 1104/4885NOS2 1111/4885PDK1 464/4885
US-20190125745-A1 TREATMENT AND DIAGNOSIS OF CANCER NR1H4, NR1H3, NR1H2 NOS1 4263/4885NOS2 3946/4885PDK1 1273/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NOS1 87/4885NOS2 73/4885PDK1 610/4885

“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.