SCHEMBL5328568

SCHEMBL5328568

C=CC(O)[N]CCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ABCG2 Q9UNQ0 2/20 0.35
PTGS1 P23219 1/20 0.35
PPARG P37231 1/20 0.35
OPRK1 P41145 1/20 0.35
TSHR P16473 3/20 0.34
CACNA2D1 P54289 1/20 0.33
CACNB2 Q08289 1/20 0.33
CACNA1C Q13936 1/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL6175599 0.66
SCHEMBL41968 0.65
SCHEMBL14764148 0.65 MAPT (0.52) CYP3A4TP53LMNACYP1A2CYP2D6
SCHEMBL444600 0.65
SCHEMBL5804837 0.65
SCHEMBL1995350 0.64
SCHEMBL6175340 0.64 TSHR (0.44) MEN1KMT2ATSHRALDH1A1NAAA
SCHEMBL184105 0.64 MAPT (0.50) TSHRCYP3A4TP53LMNACYP1A2
SCHEMBL11430050 0.64 MAPT (0.50) TSHRCYP3A4TP53LMNACYP1A2
SCHEMBL6050380 0.64 MAPT (0.50) TSHRCYP3A4TP53LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP claimed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US claimed
EP-1500657-A1 Substituted pyrazoles as P38 kinase inhibitors G.D. Searle LLC (US) 2005-01-26 EP claimed
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 EP claimed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 US claimed
US-6617324-B1 Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted G. D. SEARLE & COMPANY 2003-09-09 US claimed
US-6514977-B1 For treating p38 kinase mediated disorders G.D. SEARLE & COMPANY 2003-02-04 US claimed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US claimed
EP-0317492-B1 Substituted dicarboxylic acids-bis(3,5-dicarbamoyl-2,4,6-triiodo-anilides), process for their preparation and X-ray contrast agents containing them SCHERING AG (DE) 1994-06-01 EP claimed
US-4390470-A ANIONIC DYE FOR CELLULOSE, POLYAMIDES, POLYURETHANES, POLYPROPYLENE, PAPER AND LEATHER SANDOZ LTD. (CH) 1983-06-28 US claimed
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
US-6525059-B1 Mitogen-activated protein kinases (MAP); G. D. SEARLE & COMPANY 2003-02-25 US disclosed
US-6514977-B1 For treating p38 kinase mediated disorders G.D. SEARLE & COMPANY 2003-02-04 US disclosed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US disclosed
US-4390470-A ANIONIC DYE FOR CELLULOSE, POLYAMIDES, POLYURETHANES, POLYPROPYLENE, PAPER AND LEATHER SANDOZ LTD. (CH) 1983-06-28 US disclosed
US-4169832-A Disazo and trisazo intermediates for polyazo dyes containing a stilbenyl or 2,2'-disulfostilbenyl radical SANDOZ LTD. (CH) 1979-10-02 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 (2 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-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF MEN1 3388/4885KMT2A 4451/4885ABCG2 4543/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MEN1 3032/4885KMT2A 1449/4885ABCG2 3892/4885

“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.