SCHEMBL3340488

SCHEMBL3340488

COC(=O)c1cccc(C(O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
RAB9A P51151 1/20 0.54
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
CASR P41180 1/20 0.51
SLC7A5 Q01650 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
PPARA Q07869 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CTSL P07711 1/20 0.47
ROCK2 O75116 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46

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
SCHEMBL3636710 0.89 TDP1 (0.51) TSHRRAB9ACASRSLC7A5LOXL2
SCHEMBL2458334 0.88 KMT2A (0.46) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL3340741 0.87 GPR17 (0.50) TSHRRAB9ACASRSLC7A5LOXL2
SCHEMBL4810030 0.86 LOXL2 (0.50) TSHRRAB9ACASRSLC7A5LOXL2
SCHEMBL1568650 0.86 ADRB2 (0.54) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL4407209 0.84 TSHR (0.53) TSHRRAB9APTGS1PTGS2CASR
SCHEMBL30251598 0.84 TSHR (0.64) TSHRRAB9APPARAALDH1A1ROCK2
SCHEMBL866718 0.84 TSHR (0.64) TSHRRAB9APPARAALDH1A1ROCK2
SCHEMBL2650423 0.84 TSHR (0.53) TSHRRAB9APTGS1PTGS2CASR
SCHEMBL4407205 0.84 TSHR (0.53) TSHRRAB9APTGS1PTGS2CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11766435-B2 N3-substituted iminopyrimidinones as antimalarial agents MERCK SHARP & DOHME LLC (US) 2023-09-26 US disclosed
US-11766435-B2 N3-substituted iminopyrimidinones as antimalarial agents MERCK SHARP & DOHME LLC (US) 2023-09-26 US disclosed
US-11766435-B2 N3-substituted iminopyrimidinones as antimalarial agents MERCK SHARP & DOHME LLC (US) 2023-09-26 US disclosed
US-20200230140-A1 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2020-07-23 US disclosed
US-20200230140-A1 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2020-07-23 US disclosed
EP-3416647-A2 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS Merck Sharp & Dohme Corp. (US) 2018-12-26 EP disclosed
WO-2017142825-A2 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-08-24 WO disclosed
WO-2017142825-A2 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-08-24 WO disclosed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 WO disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
EP-2170815-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
US-6069149-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS TERUMO KABUSHIKI KAISHA (JP) 2000-05-30 US disclosed
EP-0894797-A1 NOVEL AMIDE DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF TERUMO KABUSHIKI KAISHA (JP) 1999-02-03 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 (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-20200230140-A1 N3-SUBSTITUTED IMINOPYRIMIDINONES AS ANTIMALARIAL AGENTS CTSL, ANPEP, PRSS1 TSHR 3988/4885RAB9A 2450/4885PTGS1 2147/4885
US-11766435-B2 N3-substituted iminopyrimidinones as antimalarial agents CTSL, ANPEP, PRSS1 TSHR 3988/4885RAB9A 2450/4885PTGS1 2147/4885
US-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP TSHR 3858/4885RAB9A 458/4885PTGS1 2122/4885

“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.