SCHEMBL3359525

SCHEMBL3359525

CCCC(Br)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
IDO1 P14902 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
AGXT P21549 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL8083245 0.89 PTGES (0.42) TSHRPPARGSLC1A3SLC1A2SLC1A1
SCHEMBL6028474 0.86 CETP (0.45) CETP
SCHEMBL455196 0.84 TSHR (0.44) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL6098576 0.81 SLC1A3 (0.42) TSHRIDO1PPARGPPARASLC1A3
SCHEMBL2640220 0.80 TSHR (0.44) TSHRIDO1PPARGPPARASLC1A3
SCHEMBL13672306 0.80 TSHR (0.44) TSHRIDO1PPARGPPARASLC1A3
SCHEMBL28317714 0.79 TSHR (0.36) TSHRIDO1PPARGPPARASLC1A3
SCHEMBL10245222 0.78 TSHR (0.43) TSHRIDO1PPARGPPARASLC1A3
SCHEMBL7850044 0.78 TSHR (0.43) TSHRIDO1PPARGPPARASLC1A3
SCHEMBL659915 0.78 TSHR (0.46) TSHRIDO1PPARGPPARASLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3439703-A1 NUCLEIC ACID LINKED TO A TRIVALENT GLYCOCONJUGATE Silence Therapeutics GmbH (DE) 2019-02-13 EP disclosed
WO-2017174657-A1 NUCLEIC ACID LINKED TO A TRIVALENT GLYCOCONJUGATE SILENCE THERAPEUTICS GMBH (DE) 2017-10-12 WO disclosed
EP-3099685-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
WO-2015113990-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-08-06 WO disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
EP-1575486-A4 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2007-02-28 EP disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
US-7119203-B2 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
EP-1094805-A1 SUBSTITUTED OXYGEN ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF Millennium Pharmaceuticals, Inc. (US) 2001-05-02 EP disclosed
EP-1083919-A1 NOVEL ANTIVIRAL COMPOUNDS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
EP-1054676-A1 COMBINATION PREPARATION OF ESTROGEN AND ANTI-ESTROGEN SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-29 EP disclosed
EP-1042355-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2000-10-11 EP disclosed
WO-1999064047-A9 NOVEL ANTIVIRAL COMPOUNDS ADVANCED MEDICINE INC (US) 2000-03-16 WO disclosed
WO-2000001381-A1 SUBSTITUTED OXYGEN ALICYCLIC COMPOUNDS, INCLUDING METHODS FOR SYNTHESIS THEREOF LEUKOSITE, INC. (US) 2000-01-13 WO disclosed
WO-1999064047-A1 NOVEL ANTIVIRAL COMPOUNDS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999042109-A1 COMBINATION PREPARATION OF ESTROGEN AND ANTI-ESTROGEN SCHERING AKTIENGESELLSCHAFT (DE) 1999-08-26 WO disclosed
WO-1999033855-A1 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-08 WO disclosed
EP-0215401-A2 Method and composition for determining glycosylated hemoglobin as well as compounds suited therefor and methods for their preparation Roche Diagnostics GmbH (DE) 1987-03-25 EP 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 (1 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 TSHR 4782/4885IDO1 2558/4885PPARG 4598/4885

“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.