SCHEMBL3945052

SCHEMBL3945052

FC(Oc1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
CYP2A6 P11509 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
SLC6A4 P31645 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ALOX15 P16050 1/20 0.32
GFER P55789 1/20 0.32
ADAM17 P78536 1/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA5A P35218 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 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
SCHEMBL2164878 0.89 DRD1 (0.34) MAPTSLC6A4PPARGPPARAALOX15
SCHEMBL4323295 0.80 LDHA (0.45) LDHAMAPTKDM4EPOLBCYP2A6
SCHEMBL10582426 0.80 ALDH1A1 (0.38) MAPTSLC6A4PPARGPPARALMNA
SCHEMBL9143036 0.78 ESR2 (0.46) MEN1KMT2A
SCHEMBL9642543 0.78 TDP1 (0.42) MAPTKDM4EPOLBGFERTDP1
SCHEMBL10028300 0.78 ACHE (0.41) MAPTPOLBCA1CA2CA9
SCHEMBL29270714 0.78 TRPA1 (0.33) POLBPPARGPPARAALDH1A1TSHR
SCHEMBL2164230 0.77 KDM4E (0.40) MAPTKDM4EPOLBSLC6A4PPARG
SCHEMBL2833080 0.77 LDHA (0.42) LDHAMAPTKDM4ECYP2A6CA1
SCHEMBL943897 0.77 PTPRZ1 (0.32)

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485644-B2 N-{'4-substituted piperazine-1-sulfonylmethylalkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-02-03 US disclosed
EP-1644340-B1 N-[({'4-SUBSTITUTED PIPERAZINE-1-YL}SULFONYLMETHYL)ALKYL]-N-HYDROXYFORMAMIDE COMPOUNDS AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-11-12 EP disclosed
US-20070197542-A1 N-{'4-substituted piperazine-1-sulfonylmethyl!alkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2007-08-23 US disclosed
US-7119203-B2 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-09-22 US disclosed
EP-1565459-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-08-24 EP disclosed
EP-1501827-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACID AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-02-02 EP disclosed
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-01-13 US disclosed
US-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO disclosed
WO-2003091247-A2 PIPERIDINYL-AND PIPERAZINYL-SULFONYLMETHYL HYDROXAMIC ACIDS AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-11-06 WO disclosed
EP-1095071-A1 AROMATIC POLYMERS WITH PENDANT FLUORINATED IONIC GROUPS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-05-02 EP disclosed
WO-1999067304-A1 AROMATIC POLYMERS WITH PENDANT FLUORINATED IONIC GROUPS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-12-29 WO disclosed
US-5730904-A Partially fluroinated benzene derivatives, and liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 US disclosed
WO-1994026840-A1 PARTIALLY FLUORINATED BENZENE DERIVATIVES AND THEIR USE IN LIQUID-CRYSTAL MEDIA MERCK PATENT GMBH (DE) 1994-11-24 WO disclosed
US-5348677-A Electro-optical liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-20 US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 US disclosed
EP-0313604-B1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1992-03-25 EP disclosed
EP-0313604-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-05-03 EP disclosed
WO-1988008441-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-11-03 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 (4 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-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 LDHA 1163/4885MAPT 4135/4885KDM4E 1152/4885
US-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors MMP3, MMP13, MMP10 LDHA 794/4885MAPT 3438/4885KDM4E 1844/4885
US-20050009838-A1 Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 LDHA 1163/4885MAPT 4135/4885KDM4E 1152/4885
US-20070197542-A1 N-{'4-substituted piperazine-1-sulfonylmethyl!alkyl}-n-hydroxyfomamide compounds as metalloproteinase inhibitors MMP26, MMP9, MMP3 LDHA 4297/4885MAPT 4413/4885KDM4E 1414/4885

“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.