SCHEMBL1765053

SCHEMBL1765053

CCOC(=O)C(=O)C=C(O)c1cc(F)cc(Br)c1.[LiH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.39
MAPT P10636 7/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
PTPN1 P18031 1/20 0.35
CES2 O00748 1/20 0.33
ACHE P22303 1/20 0.33
CES1 P23141 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12596979 0.99 GPR35 (0.40) GPR35MAPTALDH1A1KDM4ELMNA
SCHEMBL1765010 0.92 MAPT (0.42) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL12596939 0.90 MAPT (0.43) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL1764997 0.88 MAPT (0.42) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL12596984 0.86 MAPT (0.43) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL1160698 0.85 XPO1 (0.40) GPR35MAPTALDH1A1KDM4ELMNA
SCHEMBL1765313 0.84 ALDH1A1 (0.40) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL12596927 0.84 XPO1 (0.41) GPR35MAPTALDH1A1KDM4ELMNA
SCHEMBL1764991 0.83 GPR35 (0.41) GPR35MAPTALDH1A1KDM4ELMNA
SCHEMBL12596968 0.83 ALDH1A1 (0.40) MAPTALDH1A1KDM4ELMNAMEN1

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-9296720-B2 Carboxamide-substituted heteroaryl-pyrazoles and the use thereof AICURIS GMBH & CO. KG (DE) 2016-03-29 US disclosed
US-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2015-04-16 US disclosed
EP-2785705-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AiCuris GmbH & Co. KG (DE) 2014-10-08 EP disclosed
WO-2013079586-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2013-06-06 WO 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
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 (2 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 GPR35 2122/4885MAPT 2876/4885ALDH1A1 898/4885
US-20150105388-A1 CARBOXAMIDE-SUBSTITUTED HETEROARYL-PYRAZOLES AND THE USE THEREOF PAICS, AADAC, TPMT GPR35 414/4885MAPT 3290/4885ALDH1A1 1042/4885

“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.