SCHEMBL2732956

SCHEMBL2732956

Cc1c(B2OC(C)(C)C(C)(C)O2)ccc(C(=O)O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.35
LPL P06858 2/20 0.35
P4HB P07237 1/20 0.35
GRM1 Q13255 1/20 0.34
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
CYP1A2 P05177 1/20 0.33
JAK2 O60674 3/20 0.33
BTK Q06187 3/20 0.33
UCHL1 P09936 1/20 0.33
TSHR P16473 1/20 0.33
MYC P01106 4/20 0.32
HAAO P46952 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 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
SCHEMBL17939879 0.86 JAK2 (0.35) LIPGLPLP4HBGRM1F2
SCHEMBL10059183 0.86 JAK2 (0.36) LIPGLPLP4HBGRM1F2
SCHEMBL1511331 0.86 LIPG (0.35) LIPGLPLP4HBF2F11
SCHEMBL2316954 0.86 MYC (0.35) LIPGLPLP4HBF2F11
SCHEMBL2825036 0.85 F11 (0.36) LIPGLPLP4HBF2F11
SCHEMBL1722016 0.85 TSHR (0.41) LIPGLPLP4HBCYP1A2JAK2
SCHEMBL16599583 0.83 KDM4E (0.36) LIPGLPLP4HBF2F11
SCHEMBL27204905 0.83 TDP1 (0.39) LIPGLPLP4HBGRM1F2
SCHEMBL17339030 0.83 TDP1 (0.39) LIPGLPLP4HBF2F11
SCHEMBL15921282 0.82 F2 (0.38) LIPGLPLP4HBF2F11

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-20230132035-A1 Toll-Like Receptor 8 (TLR8)-Specific Antagonists and Methods of Making and Uses Thereof UNIV COLORADO REGENTS (US) 2023-04-27 US disclosed
US-11466010-B2 Toll-like receptor 8 (TLR8) specific antagonists and methods of making and uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-10-11 US disclosed
US-20210179621-A1 Toll-Like Receptor 8 (TLR8) Specific Antagonists and Methods of Making and Uses Thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2021-06-17 US disclosed
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 US disclosed
US-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 US disclosed
WO-2016146605-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-22 WO disclosed
EP-3049394-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
EP-3049390-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 US disclosed
WO-2015044163-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed
WO-2015044167-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed
EP-2632269-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012086735-A1 CONDENSED HETEROCYCLIC COMPOUND 大正製薬株式会社 (JP) 2012-06-28 WO disclosed
WO-2012058187-A1 CYCLIC AMINE SUBSTITUTED OXAZOLIDINONE CETP INHIBITOR MERCK SHARP & DOHME CORP. (US) 2012-05-03 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 (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-20160272617-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT LIPG 1141/4885LPL 1158/4885P4HB 1001/4885
US-20230132035-A1 Toll-Like Receptor 8 (TLR8)-Specific Antagonists and Methods of Making and Uses Thereof TLR8, TLR3, TLR9 LIPG 1519/4885LPL 2116/4885P4HB 4123/4885
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, RYR1 LIPG 3852/4885LPL 4304/4885P4HB 3939/4885
US-20210179621-A1 Toll-Like Receptor 8 (TLR8) Specific Antagonists and Methods of Making and Uses Thereof TLR8, TLR3, TLR9 LIPG 1562/4885LPL 2182/4885P4HB 4028/4885
US-11466010-B2 Toll-like receptor 8 (TLR8) specific antagonists and methods of making and uses thereof TLR8, TLR3, TLR9 LIPG 1562/4885LPL 2182/4885P4HB 4028/4885

“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.