SCHEMBL2754355

SCHEMBL2754355

O=S(=O)(OC1=CCC(c2ccccc2)CC1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.38
DRD3 P35462 8/20 0.38
DRD4 P21917 6/20 0.38
DRD1 P21728 5/20 0.38
DRD5 P21918 5/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SRD5A1 P18405 1/20 0.34
HTR1D P28221 2/20 0.33
HTR5A P47898 1/20 0.32

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
SCHEMBL13132636 0.90 DRD2 (0.47) DRD2DRD3DRD4DRD1DRD5
SCHEMBL13560702 0.88 DRD2 (0.40) DRD2DRD3DRD4DRD1DRD5
SCHEMBL31342579 0.88 DRD2 (0.40) DRD2DRD3DRD4DRD1DRD5
SCHEMBL3678529 0.85 DRD2 (0.37) DRD2DRD3DRD4DRD1DRD5
SCHEMBL24923816 0.85 DRD2 (0.39) DRD2DRD3DRD4DRD1DRD5
SCHEMBL17459560 0.82 DRD2 (0.44) DRD2DRD3DRD4DRD1DRD5
SCHEMBL16787830 0.81 DRD2 (0.38) DRD2DRD3DRD4DRD1DRD5
SCHEMBL31342610 0.80 DRD2 (0.35) DRD2DRD3DRD4DRD1DRD5
SCHEMBL602165 0.79 STS (0.40) DRD2DRD3DRD4DRD1DRD5
SCHEMBL13132554 0.79 DRD2 (0.33) DRD2DRD3DRD4DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-30 US disclosed
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB CO (US) 2020-03-05 US disclosed
US-9321736-B2 Pyrimidine cyclohexyl glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2016-04-26 US disclosed
EP-2685827-B1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS INC (US) 2016-02-03 EP disclosed
US-20150065532-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. 2015-03-05 US disclosed
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 EP disclosed
US-8906917-B2 Pyrimidine cyclohexyl glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2014-12-09 US disclosed
US-20140162361-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. 2014-06-12 US disclosed
EP-2685827-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS Corcept Therapeutics, Inc. (US) 2014-01-22 EP disclosed
US-20130072486-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. (US) 2013-03-21 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
EP-2109611-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-10-21 EP disclosed
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO disclosed
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP disclosed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP disclosed
US-5932743-A Methods for the solid phase synthesis of substituted indole compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-03 US disclosed
WO-1999009007-A1 SOLID PHASE SYNTHESIS OF 2,3-DISUBSTITUTED INDOLE COMPOUNDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-25 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-20140162361-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, MC2R DRD2 1899/4885DRD3 1736/4885DRD4 1687/4885
US-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT DRD2 3235/4885DRD3 3565/4885DRD4 3666/4885
US-20130072486-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, MC2R DRD2 1899/4885DRD3 1736/4885DRD4 1687/4885
US-20150065532-A1 PYRIMIDINE CYCLOHEXYL GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, MC2R DRD2 1899/4885DRD3 1736/4885DRD4 1687/4885
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 DRD2 3048/4885DRD3 2667/4885DRD4 1917/4885
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 DRD2 2626/4885DRD3 2523/4885DRD4 2567/4885
US-20200069646-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT DRD2 3235/4885DRD3 3565/4885DRD4 3666/4885

“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.