SCHEMBL1660905

SCHEMBL1660905

O=C(O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 1/20 0.64
HDAC6 Q9UBN7 6/20 0.58
HDAC1 Q13547 3/20 0.58
HPGDS O60760 1/20 0.57
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 3/20 0.54
GAA P10253 1/20 0.54
DAO P14920 1/20 0.53
HDAC4 P56524 1/20 0.49
NR4A2 P43354 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
NPC1 O15118 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN2 P17706 1/20 0.46

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
SCHEMBL1988233 0.85 HPGDS (0.65) RAB9AMEN1KMT2APOLBHDAC6
SCHEMBL219909 0.85 HDAC6 (0.59) RAB9AMEN1KMT2APOLBHDAC6
SCHEMBL3088708 0.85 HDAC6 (0.71) HDAC6HDAC1HDAC4
SCHEMBL5209156 0.83 SRD5A2 (0.62) MEN1KMT2AHDAC6HDAC1ALDH1A1
SCHEMBL6264067 0.83 RAB9A (0.64) RAB9AMEN1KMT2APOLBHDAC6
SCHEMBL422509 0.82 RAB9A (0.72) RAB9AMEN1KMT2APOLBHDAC6
SCHEMBL27773425 0.81 HDAC6 (0.48) RAB9AMEN1KMT2APOLBHDAC6
SCHEMBL3308044 0.81 HDAC6 (0.46) RAB9AMEN1KMT2APOLBHDAC6
SCHEMBL3308038 0.81 HDAC6 (0.46) RAB9AMEN1KMT2APOLBHDAC6
SCHEMBL3308049 0.81 HDAC6 (0.46) RAB9AMEN1KMT2APOLBHDAC6

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-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
EP-1401825-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION Shire Biochem Inc. (CA) 2004-03-31 EP claimed
WO-2002100851-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION SHIRE BIOCHEM INC. (CA) 2002-12-19 WO claimed
WO-2015069011-A1 NOVEL COMPOUND, METHOD FOR PREPARATION THEREOF, AND ANTIFUNGAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-14 WO disclosed
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 WO disclosed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 US disclosed
US-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US disclosed
US-20050256124-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-11-17 US disclosed
WO-2005103039-A1 2- (3-AMINOPYRROLIDIN-1-YL) PYRIDINES AS MELANIN-CONCENTRATING HORMONE RECEPTOR AN TAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2005-11-03 WO disclosed
WO-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 WO disclosed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 US disclosed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO disclosed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO disclosed
EP-0259972-B1 HETEROCYCLIC PROPENE AMIDE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS LILLY INDUSTRIES LIMITED (GB) 1993-07-14 EP disclosed
US-4983619-A Leukotriene antagonists LILLY INDUSTRIES LIMITED (GB) 1991-01-08 US disclosed
EP-0259972-A2 Heterocyclic propene amide derivatives, processes for their preparation and their use as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1988-03-16 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 (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-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R RAB9A 1225/4885MEN1 658/4885KMT2A 1082/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE RAB9A 3129/4885MEN1 3552/4885KMT2A 3983/4885
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R RAB9A 1618/4885MEN1 401/4885KMT2A 1273/4885
US-20050256124-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R RAB9A 2176/4885MEN1 1006/4885KMT2A 1469/4885

“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.