Sugi Predict

Sugi Predict / Compounds / SCHEMBL2117150

SCHEMBL2117150

SCHEMBL2117150

CC(C)(O)C#Cc1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ HAO1 Q9UJM8 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PTGES2 Q9H7Z7 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ MAP3K14 Q99558 1/20 0.31
▸ MCL1 Q07820 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
SCHEMBL12391039 0.84 ASIC3 (0.50) ASIC3L3MBTL1LMNAMAPTKMT2A
SCHEMBL5958205 0.82 HRH3 (0.38) MAPTKMT2AATMHAO1PTGES2
SCHEMBL2118609 0.80 MAPT (0.44) MAPTKMT2AATMMAP3K14
SCHEMBL6865029 0.78 KIF11 (0.45) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL2114432 0.78 MAPT (0.34) MAPTKMT2AATM
SCHEMBL487465 0.77 MAPT (0.56) ASIC3L3MBTL1LMNAMAPTHTT
SCHEMBL2114627 0.76 ASIC3 (0.37) ASIC3L3MBTL1LMNAMAPTKMT2A
SCHEMBL14268091 0.76 ASIC3 (0.49) ASIC3L3MBTL1LMNAMAPTKMT2A
SCHEMBL12711667 0.76 APP (0.47) ASIC3L3MBTL1LMNAMAPTKMT2A
SCHEMBL18561130 0.74 MAPT (0.53) ASIC3L3MBTL1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555053-B1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION TORAY INDUSTRIES (JP) 2017-10-18 — — EP disclosed
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2014-09-11 — — US disclosed
US-8772336-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2014-07-08 — — US disclosed
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 — — US disclosed
EP-2555053-A1 Positive-type photosensitive resin composition Toray Industries, Inc. (JP) 2013-02-06 — — EP disclosed
EP-2110708-B1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION TORAY INDUSTRIES (JP) 2012-12-05 — — EP disclosed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 — — US disclosed
CN-101611350-B Positive-type photosensitive resin composition TORAY IND JP 2012-08-08 — — CN disclosed
US-8158324-B2 Positive-type photosensitive resin composition TORAY INDUSTRIES, INC. (JP) 2012-04-17 — — US disclosed
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2011-09-22 — — US disclosed
US-7973037-B2 Cathepsin cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2011-07-05 — — US disclosed
US-20100099041-A1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 2010-04-22 — — US disclosed
CN-101611350-A Positive type photosensitive organic compound TORAY INDUSTRIES (JP) 2009-12-23 — — CN disclosed
EP-2110708-A1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION Toray Industries, Inc. (JP) 2009-10-21 — — EP disclosed
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2008-08-07 — — US disclosed
EP-1482924-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-05-21 — — EP disclosed
US-7375134-B2 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders AXYS PHARMACEUTICALS, INC. (US) 2008-05-20 — — US disclosed
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2005-10-27 — — US 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 (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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ ASIC3 3398/4885L3MBTL1 586/4885LMNA 1888/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ ASIC3 3442/4885L3MBTL1 373/4885LMNA 2431/4885
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ ASIC3 3442/4885L3MBTL1 373/4885LMNA 2431/4885
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders CTSE, CTSL, CTSK ASIC3 4694/4885L3MBTL1 33/4885LMNA 273/4885
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders CTSE, CTSS, CTSB ASIC3 4400/4885L3MBTL1 24/4885LMNA 293/4885

“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.