SCHEMBL1765022

SCHEMBL1765022

COc1cc(F)cc(-c2cc(C(=O)O)nn2-c2cccc(Cl)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPP1CA P62136 1/20 0.63
RPA1 P27694 7/20 0.58
SLC16A3 O15427 2/20 0.56
SLC16A1 P53985 2/20 0.56
MARS1 P56192 3/20 0.54
NSD2 O96028 1/20 0.54
NSD1 Q96L73 1/20 0.54
NSD3 Q9BZ95 1/20 0.54
LPAR5 Q9H1C0 1/20 0.54
HPSE Q9Y251 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 1/20 0.53
MCTS1 Q9ULC4 1/20 0.50
CCKAR P32238 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL1765493 0.89 PPP1CA (0.74) PPP1CARPA1MARS1L3MBTL1MEN1
SCHEMBL1765042 0.88 RPA1 (0.64) PPP1CARPA1MARS1MEN1KMT2A
SCHEMBL1765360 0.87 SLC16A3 (0.52) PPP1CASLC16A3SLC16A1MCTS1CCKAR
SCHEMBL1765024 0.87 PPP1CA (0.68) PPP1CARPA1SLC16A3SLC16A1MARS1
SCHEMBL1765012 0.87 PPP1CA (0.71) PPP1CARPA1MARS1L3MBTL1MEN1
SCHEMBL1765071 0.86 PPP1CA (0.67) PPP1CARPA1MARS1L3MBTL1MEN1
SCHEMBL3428023 0.85 SLC16A3 (0.54) PPP1CARPA1SLC16A3SLC16A1MARS1
SCHEMBL1764984 0.82 RPA1 (0.63) PPP1CARPA1SLC16A3SLC16A1NSD2
SCHEMBL1764956 0.82 PPP1CA (0.64) PPP1CARPA1MARS1L3MBTL1MEN1
SCHEMBL1764979 0.82 CCKAR (0.51) PPP1CARPA1SLC16A3SLC16A1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
EP-2254885-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AiCuris GmbH & Co. KG (DE) 2010-12-01 EP disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 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 (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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO PPP1CA 1664/4885RPA1 3978/4885SLC16A3 2453/4885

“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.