Sugi Predict

Sugi Predict / Compounds / SCHEMBL2376077

SCHEMBL2376077

SCHEMBL2376077

[CH2]S(=O)(=O)Cc1ccccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HCRTR1 O43613 2/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ SLC6A2 P23975 6/20 0.39
▸ SLC6A4 P31645 5/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ SLC6A3 Q01959 6/20 0.38
▸ DRD2 P14416 4/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ PTGES2 Q9H7Z7 1/20 0.36

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
SCHEMBL2910656 0.83 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL270517 0.83 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL271043 0.83 HCRTR1 (0.41) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL3127823 0.83 GRIN2B (0.42) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL2376083 0.83 HCRTR1 (0.41) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL2378009 0.82 P2RX7 (0.36) HCRTR1HCRTR2SLC6A2SLC6A4KCNH2
SCHEMBL8883642 0.81 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL14378227 0.81 HCRTR1 (0.41) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL14426955 0.78 MEN1 (0.40) HDAC3HDAC1HDAC2HDAC6HCRTR1
SCHEMBL514863 0.77 HTT (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 — — EP claimed
US-8013186-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 — — US claimed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 — — US claimed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 — — US claimed
US-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors VIROBAY, INC. (US) 2009-01-22 — — US claimed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 — — US claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 — — US claimed
EP-1817275-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2007-08-15 — — EP claimed
JP-2007505920-A — — 2007-03-15 — — JP claimed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 — — EP claimed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 — — WO claimed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 — — US claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 — — US claimed
CN-1512880-A Novel compounds and compositions as cathepsin inhibitors AXYSҩ�﹫˾ 2004-07-14 — — CN claimed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 — — EP claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 — — EP claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP claimed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE HDAC3 251/4885HDAC1 284/4885HDAC2 517/4885
US-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE HDAC3 1226/4885HDAC1 1463/4885HDAC2 1429/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV HDAC3 1119/4885HDAC1 654/4885HDAC2 1359/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE HDAC3 251/4885HDAC1 284/4885HDAC2 517/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE HDAC3 1226/4885HDAC1 1463/4885HDAC2 1429/4885

“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.