SCHEMBL434431

SCHEMBL434431

Fc1cc[c]c(-c2ccccc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GPR3 P46089 2/20 0.37
PTPN1 P18031 2/20 0.34
NPC1 O15118 2/20 0.34
PTPRC P08575 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NFE2L2 Q16236 2/20 0.33
NOTUM Q6P988 2/20 0.33
MBNL1 Q9NR56 1/20 0.32
IDO1 P14902 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL8907524 0.85 PIK3R1 (0.33) NFE2L2
SCHEMBL433493 0.82 ALDH1A1 (0.37) GPR3HPGDIDO1KDM4EALDH1A1
SCHEMBL432357 0.81 GABRP (0.41) GPR3PTPN1NPC1PTPRCHPGD
SCHEMBL2013259 0.81 GPR3 (0.39) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL8129685 0.81 PDE10A (0.36) CASP3SENP8SENP7SENP6GPR3
SCHEMBL9138237 0.81 HSD11B1 (0.41) CASP3SENP8SENP7SENP6NPC1
SCHEMBL8077591 0.81 PTGS2 (0.36) GPR3HPGDALDH1A1CYP2A6
SCHEMBL2225126 0.81 ALDH1A1 (0.38) GPR3NPC1RAB9AIDO1ALDH1A1
SCHEMBL8123605 0.80 RAB9A (0.46) L3MBTL1GPR3NPC1HPGDRAB9A
SCHEMBL9136686 0.79 ACMSD (0.38) L3MBTL1PTPN1NPC1PTPRCHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 US claimed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 US claimed
CN-113200901-A Aziridine-2-yl- (aryl) ketone derivative and preparation method thereof 上海应用技术大学 2021-08-03 CN disclosed
CN-110467549-A A kind of N substitution 2- aminomethyl-1,2, the preparation method of 3,5- triaryl pentane -1,5- diketone SHANGHAI INST TECH 2019-11-19 CN disclosed
CN-110407739-A A kind of preparation method of (4,6- diaryl-tetrahydropyridine -3- base) (aryl) ketone SHANGHAI INST TECH 2019-11-05 CN disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2004065372-A1 TETRAZOLE-FUNCTIONALIZED AMINO ACIDS, THEIR PRODUCTION AND USE MEDIGENE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO disclosed
CN-1058841-C Fungicidal oxazolidinones DU PONT (US) 2000-11-29 CN disclosed
WO-1998029411-A1 SULFONAMIDE COMPOUNDS HAVING 5-HT RECEPTOR ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-09 WO disclosed
US-5466821-A Triazole ring containing fungicides, intermediates ZENECA LIMITED (GB) 1995-11-14 US disclosed
CN-1028143-C Oxazolidinone sterilization composition DU PONT (US) 1995-04-12 CN disclosed
US-5395942-A Fungicides for plants ZENECA LIMITED (GB) 1995-03-07 US disclosed
CN-1096157-A Antifungal De oxazolidone DU PONT (US) 1994-12-14 CN disclosed
US-5204363-A Plant fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-20 US disclosed
US-5156669-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
US-5004494-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-02 US disclosed
CN-1047079-A FUNGICIDAL OXAZOLIDINONES DU PONT (US) 1990-11-21 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 (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-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE L3MBTL1 1367/4885CASP3 1154/4885SENP8 322/4885

“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.