SCHEMBL451098

SCHEMBL451098

CC(C)Cc1ccc(-c2nc(-c3ccc(C=O)cc3)no2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.56
S1PR4 O95977 9/20 0.56
S1PR5 Q9H228 9/20 0.56
S1PR3 Q99500 5/20 0.56
TPH1 P17752 4/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3456664 1.00 S1PR1 (0.56) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL3456144 0.87 S1PR1 (0.52) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL3456844 0.86 S1PR1 (0.52) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL4741310 0.84 S1PR1 (0.54) S1PR1S1PR4S1PR5S1PR3
SCHEMBL4741601 0.83 S1PR1 (0.52) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL4741518 0.83 S1PR1 (0.57) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL13269548 0.83 NPC1 (0.46) S1PR1S1PR4S1PR5S1PR3NPC1
SCHEMBL28776656 0.83 S1PR1 (0.54) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL5378065 0.82 S1PR1 (0.58) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL16591181 0.82 S1PR1 (0.50) S1PR1S1PR4S1PR5S1PR3TPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3048103-B1 COMPOUND FOR IMMUNE MODULATION, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SUZHOU CONNECT BIOPHARMACEUTICALS LTD (CN) 2020-03-11 EP disclosed
US-10280158-B2 Immune adjustment compound, use thereof and pharmaceutical composition comprising same SUZHOU CONNECT BIOPHARMACEUTICALS, LTD. (CN) 2019-05-07 US disclosed
US-10280158-B2 Immune adjustment compound, use thereof and pharmaceutical composition comprising same SUZHOU CONNECT BIOPHARMACEUTICALS, LTD. (CN) 2019-05-07 US disclosed
US-20160347745-A1 IMMUNE ADJUSTMENT COMPOUND, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SUZHOU CONNECT BIOPHARMACEUTICALS, LTD. (CN) 2016-12-01 US disclosed
US-20160347745-A1 IMMUNE ADJUSTMENT COMPOUND, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SUZHOU CONNECT BIOPHARMACEUTICALS, LTD. (CN) 2016-12-01 US disclosed
US-20160347745-A1 IMMUNE ADJUSTMENT COMPOUND, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SUZHOU CONNECT BIOPHARMACEUTICALS, LTD. (CN) 2016-12-01 US disclosed
EP-3048103-A1 IMMUNE ADJUSTMENT COMPOUND, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SUZHOU CONNECT BIOPHARMACEUTICALS, LTD. (CN) 2016-07-27 EP disclosed
EP-3048103-A1 IMMUNE ADJUSTMENT COMPOUND, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SUZHOU CONNECT BIOPHARMACEUTICALS, LTD. (CN) 2016-07-27 EP disclosed
WO-2015039587-A1 IMMUNE ADJUSTMENT COMPOUND, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 苏州康乃德生物医药有限公司 2015-03-26 WO disclosed
US-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 US disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 EP disclosed
US-7199142-B2 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists MERCK & CO., INC. (US) 2007-04-03 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP disclosed
US-20050245575-A1 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists MERCK & CO., INC. 2005-11-03 US disclosed
EP-1549640-A2 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2005-07-06 EP disclosed
WO-2004035538-A1 PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID MERCK & CO., INC. (US) 2004-04-29 WO disclosed
WO-2003105771-A2 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-12-24 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 (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-20160347745-A1 IMMUNE ADJUSTMENT COMPOUND, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME S1PR1, S1PR3, S1PR5 S1PR1 1/4885S1PR4 4/4885S1PR5 3/4885
US-10280158-B2 Immune adjustment compound, use thereof and pharmaceutical composition comprising same S1PR1, S1PR3, S1PR5 S1PR1 1/4885S1PR4 4/4885S1PR5 3/4885
US-20050245575-A1 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists EDNRA, OXGR1, EDNRB S1PR1 217/4885S1PR4 449/4885S1PR5 281/4885
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCND1, CCND2, CCND3 S1PR1 104/4885S1PR4 254/4885S1PR5 248/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 S1PR1 396/4885S1PR4 588/4885S1PR5 444/4885

“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.