SCHEMBL196379

SCHEMBL196379

CCC(=O)c1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.61
CES1 P23141 3/20 0.61
ACKR3 P25106 5/20 0.50
HSP90AB1 P08238 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.41
KCNH2 Q12809 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
SCHEMBL29746067 1.00 CES2 (0.61) CES2CES1ACKR3HSP90AB1L3MBTL1
SCHEMBL6944180 0.85 CES2 (0.57) CES2CES1ACKR3
SCHEMBL31130589 0.84 CES2 (0.61) CES2CES1HSP90AB1L3MBTL1KCNH2
SCHEMBL954719 0.84 CES2 (0.61) CES2CES1HSP90AB1L3MBTL1KCNH2
SCHEMBL3408482 0.83 MAOB (0.46) CES2CES1ACKR3KCNH2
SCHEMBL12780437 0.82 HSP90AB1 (0.47) CES2CES1HSP90AB1L3MBTL1KCNH2
SCHEMBL29368949 0.82 HSP90AB1 (0.67) CES2CES1HSP90AB1PKMKCNH2
SCHEMBL177181 0.82 HSP90AB1 (0.67) CES2HSP90AB1
SCHEMBL30494600 0.82 HSP90AB1 (0.47) CES2CES1HSP90AB1KCNH2
SCHEMBL9720605 0.82 HSP90AB1 (0.47) CES2CES1HSP90AB1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801550-A Novel benzopyran kinase modulators 理森制药股份公司 2016-07-27 CN claimed
WO-2015150947-A1 A PROCESS FOR THE PREPARATION OF ISAVUCONAZOLE AND ITS INTERMEDIATES WOCKHARDT LIMITED (IN) 2015-10-08 WO claimed
US-5426233-A Contacting dihalophenone type compound with chiral hydroxylating compound at low temperature SCHERING CORPORATION (US) 1995-06-20 US claimed
WO-1992017433-A1 PREPARATION OF CHIRAL HYDROXYKETONES SCHERING CORPORATION (US) 1992-10-15 WO claimed
EP-0506341-A1 Preparation of chiral hydroxyketones SCHERING CORPORATION (US) 1992-09-30 EP claimed
US-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CEREVANCE LTD (GB) 2024-02-22 US disclosed
US-20240043593-A1 Fluorine-Containing Polymer CENTRAL GLASS COMPANY, LIMITED (JP) 2024-02-08 US disclosed
CN-116848162-A Fluorine-containing polymer 中央硝子株式会社 2023-10-03 CN disclosed
EP-4211118-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2023-07-19 EP disclosed
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
WO-2022053823-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR Cerevance, Inc. (US) 2022-03-17 WO disclosed
CN-105801550-B Novel chromene kinase modulator 理森制药股份公司 2019-06-14 CN disclosed
CN-1112113-A Novel triazole compound and production process and use thereof NIHON NOHYAKU CO LTD (JP) 1995-11-22 CN disclosed
EP-0679647-A1 Novel antifungal triazole compound and production and use thereof NIHON NOHYAKU CO., LTD. (JP) 1995-11-02 EP disclosed
US-5426233-A Contacting dihalophenone type compound with chiral hydroxylating compound at low temperature SCHERING CORPORATION (US) 1995-06-20 US disclosed
US-5405861-A Fungicides TAKEDA CHEMICAL INDUSTRIES, CO., LTD. (JP) 1995-04-11 US disclosed
EP-0613890-A1 Novel triazole compound, process for preparing the same and antifungal agent containing the same NIHON NOHYAKU CO., LTD. (JP) 1994-09-07 EP disclosed
WO-1992017433-A1 PREPARATION OF CHIRAL HYDROXYKETONES SCHERING CORPORATION (US) 1992-10-15 WO disclosed
EP-0506341-A1 Preparation of chiral hydroxyketones SCHERING CORPORATION (US) 1992-09-30 EP disclosed
EP-0421210-A2 Triazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 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 (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-20240059677-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS NICOTINIC ACETYLCHOLINESTERASE RECEPTOR ALPHA 6 MODULATOR CHRNA6, CHRM2, CHRNA1 CES2 208/4885CES1 90/4885ACKR3 733/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 CES2 2962/4885CES1 2610/4885ACKR3 3753/4885

“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.