SCHEMBL4664795

SCHEMBL4664795

O=C(O)CC1c2ccccc2Sc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.49
GRM5 P41594 2/20 0.49
CYP2D6 P10635 2/20 0.49
EGFR P00533 1/20 0.47
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL28754501 0.79 GRM1 (0.42) GRM1GRM5CYP2D6EGFRLMNA
SCHEMBL42370 0.78 EGFR (0.51) EGFRKMT2ATSHRHSD17B10AKR1B1
SCHEMBL7709177 0.77 GRM1 (0.44) GRM1GRM5CYP2D6EGFRLMNA
Ammonia Solution, Strong SCHEMBL27729485 0.76 EGFR (0.50) EGFRKMT2ATSHRHSD17B10AKR1B1
SCHEMBL7589860 0.74 HTR2A (0.53) CYP2D6EGFRLMNAMEN1KMT2A
SCHEMBL11114720 0.74 EGFR (0.49) EGFRLMNATSHRAKR1B1CDC25A
SCHEMBL11055807 0.74 GRM5 (0.53) GRM1GRM5CYP2D6LMNAMEN1
SCHEMBL6435659 0.74 GLA (0.40) GRM1GRM5EGFRMEN1KMT2A
SCHEMBL5756547 0.74 GRM1 (0.51) GRM1GRM5CYP2D6LMNAMEN1
SCHEMBL1389876 0.73 HTR2A (0.55) CYP2D6EGFRTSHRCHRM1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602955-B Photocuring method, compound used in photocuring method, and composition 富士胶片和光纯药株式会社 2021-08-06 CN disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
CN-1886391-A Teramic acid and threonine as beta-secretase inhibitors HOFFMANN LA ROCHE (CH) 2006-12-27 CN disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US disclosed
US-3981887-A Sulfoxides and sulfones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-09-21 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 (3 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 GRM1 422/4885GRM5 289/4885CYP2D6 2202/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 GRM1 422/4885GRM5 289/4885CYP2D6 2202/4885
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 GRM1 336/4885GRM5 1198/4885CYP2D6 1714/4885

“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.