SCHEMBL530568

SCHEMBL530568

NC(=O)c1cccc(C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.58
BCAT2 O15382 1/20 0.49
PDK2 Q15119 1/20 0.47
PARP1 P09874 3/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
SCN9A Q15858 3/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
TAS2R14 Q9NYV8 2/20 0.42
IKBKB O14920 1/20 0.41
PTGS1 P23219 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41

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
SCHEMBL30339795 1.00 FABP4 (0.58) FABP4BCAT2PDK2PARP1NR1H2
Hydrochloric Acid SCHEMBL28812647 0.98 FABP4 (0.57) FABP4BCAT2PDK2PARP1NR1H2
SCHEMBL6703940 0.86 FABP4 (0.70) FABP4NR1H2NR1H3LMNAGAA
SCHEMBL4846678 0.86 FABP4 (0.61) FABP4NR1H2NR1H3LMNAGAA
SCHEMBL5131387 0.86 FABP4 (0.45) FABP4PDK2PARP1LMNAGAA
SCHEMBL30241242 0.86 FABP4 (0.45) FABP4PDK2PARP1NR1H2NR1H3
SCHEMBL31304715 0.83 FABP4 (0.58) FABP4NR1H2NR1H3LMNAGAA
Trifluoroacetic Acid SCHEMBL18049957 0.83 BCAT2 (0.52) FABP4BCAT2PDK2PARP1KEAP1
SCHEMBL4555401 0.83 FABP4 (0.46) FABP4BCAT2PDK2PARP1NR1H2
SCHEMBL29427280 0.82 SCN5A (0.49) PARP1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders PÉCSI TUDOMÁNYEGYETEM (HU) 2019-07-09 US claimed
EP-3194399-B1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PECSI TUDOMANYEGYETEM (HU) 2019-04-10 EP claimed
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2017-09-14 US claimed
EP-3194399-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS Pécsi Tudományegyetem (HU) 2017-07-26 EP claimed
WO-2016042349-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS PÉCSI TUDOMÁNYEGYETEM (HU) 2016-03-24 WO claimed
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
EP-1928843-A1 BIS-ARYL UREA COMPOUNDS FOR THE TREATMENT OF PROTEIN KINASE-MEDIATED DISEAES Amgen, Inc (US) 2008-06-11 EP claimed
WO-2007024754-A1 BIS-ARYL UREA COMPOUNDS FOR THE TREATMENT OF PROTEIN KINASE-MEDIATED DISEAES AMGEN INC. (US) 2007-03-01 WO claimed
WO-2005073193-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-08-11 WO claimed
CN-1155278-A Arylthio compounds as antibacteral and antiviral agents WARNER LAMBERT CO (US) 1997-07-23 CN claimed
EP-4211230-A1 COMPOSITIONS AND METHODS FOR T CELL ENGINEERING Gracell Biotechnologies (Shanghai) Co., Ltd. (CN) 2023-07-19 EP disclosed
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed
CN-110272426-B Alkynyl (hetero) aromatic ring compounds for inhibiting protein kinase activity 深圳市塔吉瑞生物医药有限公司 2022-05-31 CN disclosed
WO-2022052913-A1 COMPOSITIONS AND METHODS FOR T CELL ENGINEERING GRACELL BIOTECHNOLOGIES (SHANGHAI) CO., LTD. (CN) 2022-03-17 WO disclosed
WO-2021223705-A1 COMPOSITIONS AND METHODS FOR T CELL ENGINEERING GRACELL BIOTECHNOLOGIES (SHANGHAI) CO., LTD. (CN) 2021-11-11 WO disclosed
EP-1681924-A1 BIPHENYL DERIVATIVE OR ITS SALT, AND PESTICIDE CONTAINING IT AS AN ACTIVE INGREDIENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-26 EP disclosed
EP-1532138-A1 INHIBITORS OF TYROSINE KINASES Novartis AG (CH) 2005-05-25 EP disclosed
WO-2005044007-A1 BIPHENYL DERIVATIVE OR ITS SALT, AND PESTICIDE CONTAINING IT AS AN ACTIVE INGREDIENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-05-19 WO disclosed
WO-2004005281-A1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2004-01-15 WO disclosed
CN-1308604-A 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia AMERICAN HOME PROD (US) 2001-08-15 CN 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-10344032-B2 Agents for treating neurogenic inflammation and neuropathic hyperalgesia related disorders TRPV1, P2RX3, P2RX7 FABP4 1108/4885BCAT2 3026/4885PDK2 974/4885
US-20170260187-A1 NEW AGENTS FOR TREATING NEUROGENIC INFLAMMATION AND NEUROPATHIC HYPERALGESIA RELATED DISORDERS TRPV1, P2RX3, P2RX4 FABP4 1696/4885BCAT2 3248/4885PDK2 1406/4885

“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.