SCHEMBL449651

SCHEMBL449651

CC(C)Cc1ccc(-c2nc(-c3ccc(CO)cc3)no2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.59
S1PR4 O95977 9/20 0.59
S1PR5 Q9H228 9/20 0.59
S1PR3 Q99500 6/20 0.59
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TPH1 P17752 4/20 0.51

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
SCHEMBL3455754 1.00 S1PR1 (0.59) S1PR1S1PR4S1PR5S1PR3NPC1
SCHEMBL29151659 0.88 S1PR1 (0.59) S1PR1S1PR4S1PR5S1PR3NPC1
SCHEMBL3455786 0.87 S1PR1 (0.60) S1PR1S1PR4S1PR5S1PR3NPC1
SCHEMBL4742811 0.86 S1PR1 (0.59) S1PR1S1PR4S1PR5S1PR3NPC1
SCHEMBL12582005 0.85 S1PR1 (0.57) S1PR1S1PR4S1PR5S1PR3NPC1
SCHEMBL1965935 0.85 S1PR1 (0.64) S1PR1S1PR4S1PR5S1PR3NPC1
SCHEMBL1312218 0.85 S1PR1 (0.57) S1PR1S1PR4S1PR5S1PR3NPC1
SCHEMBL3095950 0.85 S1PR1 (0.61) S1PR1S1PR4S1PR5S1PR3NPC1
SCHEMBL3458655 0.84 S1PR1 (0.55) S1PR1S1PR4S1PR5S1PR3TPH1
SCHEMBL3455789 0.84 S1PR1 (0.58) 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004035563-A1 3-HETEROCYCLYLPYRIDINE DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-29 WO claimed
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
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 WO 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-2004035564-A1 PYRIDINE DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-29 WO disclosed
WO-2004035538-A1 PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID MERCK & CO., INC. (US) 2004-04-29 WO disclosed
WO-2004035563-A1 3-HETEROCYCLYLPYRIDINE DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 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 (3 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

“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.