SCHEMBL2131505

SCHEMBL2131505

COC(=O)COc1ccc(I)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MAPT P10636 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GLA P06280 1/20 0.48
▸ PPARD Q03181 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2116437 0.90 PTGS2 (0.66) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL17365269 0.84 PTGS2 (0.60) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL12061812 0.84 GAA (0.66) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL7693991 0.82 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL13935133 0.82 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL5111012 0.82 LMNA (0.69) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL197602 0.82 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL10364396 0.82 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL4264046 0.82 PTGS2 (0.58) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL24844742 0.82 GAA (0.73) MAPTKMT2AL3MBTL1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230097293-A1 LMP1 TARGETING LANTHANIDE COMPLEXES AND METHODS OF USE THEREOF BP INNOMED LIMITED (CN) 2023-03-30 — — US disclosed
WO-2021026479-A1 SMALL MOLECULE INHIBITORS OF S1P2 RECEPTOR AND USES THEREOF STAMFORD, ANDREW (US) 2021-02-11 — — WO disclosed
US-10597409-B2 Water-soluble triazapyridinophane-based complexing agents and corresponding fluorescent lanthanide complexes CISBIO BIOASSAYS (FR) 2020-03-24 — — US disclosed
WO-2017098180-A1 WATER-SOLUBLE TRIAZAPYRIDINOPHANE-BASED COMPLEXING AGENTS AND CORRESPONDING FLUORESCENT LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2017-06-15 — — WO disclosed
CN-105191992-A Vegetable insecticide growth regulating agent GONG CANFENG 2015-12-30 — — CN disclosed
US-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-04-26 — — US disclosed
US-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-04-26 — — US disclosed
US-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-04-26 — — US disclosed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO disclosed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — WO disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 — — EP disclosed
CN-1174677-C Plant growth regulator 肖振英 2004-11-10 — — CN disclosed
WO-2000009116-A1 GRP RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 — — WO disclosed
WO-2000009115-A1 GRP RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-24 — — WO disclosed
US-5861421-A 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-19 — — US disclosed
EP-0800393-A4 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-05-06 — — EP disclosed
EP-0800393-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 — — EP disclosed
WO-1996019995-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 — — 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 (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-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS CASR, CALCR, PTH1R PTGS2 958/4885ALDH1A1 4154/4885CYP2C9 4567/4885
US-10597409-B2 Water-soluble triazapyridinophane-based complexing agents and corresponding fluorescent lanthanide complexes GSTA1, CLIC1, SLC40A1 PTGS2 1208/4885ALDH1A1 390/4885CYP2C9 3445/4885
US-20230097293-A1 LMP1 TARGETING LANTHANIDE COMPLEXES AND METHODS OF USE THEREOF EBNA1BP2, LAMP1, PML PTGS2 4723/4885ALDH1A1 4703/4885CYP2C9 4885/4885

“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.

Send feedback