SCHEMBL740028

SCHEMBL740028

N#CCC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 10/20 0.53
WNT3A P56704 10/20 0.53
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL395494 0.81 MAPT (0.56) GAALMNAALDH1A1HTTSMN1; SMN2
SCHEMBL30089582 0.80 CTNNB1 (0.75) CTNNB1WNT3AGAALMNACNR2
SCHEMBL22659117 0.79 CYP2C19 (0.43) GAALMNAALDH1A1HTTSMN1; SMN2
SCHEMBL2073272 0.78 CTNNB1 (0.58) CTNNB1WNT3AGAALMNACNR2
SCHEMBL19858887 0.78 CTNNB1 (0.58) CTNNB1WNT3AGAALMNACNR2
SCHEMBL1950901 0.77 CTNNB1 (0.57) CTNNB1WNT3AGAALMNACNR2
SCHEMBL8232789 0.77 CTNNB1 (0.57) CTNNB1WNT3AGAALMNACNR2
SCHEMBL5367757 0.77 CTNNB1 (0.57) CTNNB1WNT3AGAALMNACNR2
SCHEMBL2092338 0.77 CTNNB1 (0.57) CTNNB1WNT3AGAALMNACNR2
SCHEMBL5358195 0.77 CTNNB1 (0.57) CTNNB1WNT3AGAALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 US disclosed
US-20240277683-A1 COMPOUNDS CTXT PTY LTD (AU) 2024-08-22 US disclosed
US-11911372-B2 Compounds CTXT PTY LTD (AU) 2024-02-27 US disclosed
US-11911372-B2 Compounds CTXT PTY LTD (AU) 2024-02-27 US disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INT (DE) 2023-11-09 US disclosed
US-11766443-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-26 US disclosed
US-11766443-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-26 US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 US disclosed
US-20220160725-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2022-05-26 US disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2008062026-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 US disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 US disclosed
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof NIHON NOHYAKU CO., LTD., (JP) 2007-01-11 US disclosed
EP-1544202-A1 NOVEL HERBICIDES, USAGE THEREOF, NOVEL THIENOPYRIMIDINE DERIVATIVES, INTERMEDIATES OF THE SAME, AND PROCESS FOR PRODUCTION THEREOF Nihon Nohyaku Co., Ltd. (JP) 2005-06-22 EP disclosed
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US 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 (8 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-20220160725-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, F3 CTNNB1 4386/4885WNT3A 4213/4885GAA 4686/4885
US-20240277683-A1 COMPOUNDS SLC10A1, ABCB11, REN CTNNB1 3254/4885WNT3A 2988/4885GAA 123/4885
US-20070010402-A1 Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof DDT, DPYD, DHODH CTNNB1 3560/4885WNT3A 3909/4885GAA 983/4885
US-11766443-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists PTAFR, PDGFRA, F3 CTNNB1 4386/4885WNT3A 4213/4885GAA 4686/4885
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 CTNNB1 1296/4885WNT3A 1175/4885GAA 2109/4885
US-20230355638-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, F3 CTNNB1 4386/4885WNT3A 4213/4885GAA 4686/4885
US-11911372-B2 Compounds SLC10A1, ABCB11, REN CTNNB1 3113/4885WNT3A 2492/4885GAA 222/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 CTNNB1 1296/4885WNT3A 1175/4885GAA 2109/4885

“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.