SCHEMBL296505

SCHEMBL296505

CCCCCCCOc1ccc(CCC(C)(N)CO)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.73
S1PR4 O95977 8/20 0.73
S1PR3 Q99500 8/20 0.73
S1PR5 Q9H228 7/20 0.73
TNNC1 P63316 5/20 0.55
SGPL1 O95470 1/20 0.55
GPR183 P32249 1/20 0.55
CERS2 Q96G23 1/20 0.55
SPHK2 Q9NRA0 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53

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
SCHEMBL3514080 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL3509655 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL7615633 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL7621645 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL1554624 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL23674394 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL30096682 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
Hydrochloric Acid SCHEMBL7614632 0.99 S1PR1 (0.71) S1PR1S1PR4S1PR3S1PR5TNNC1
Water SCHEMBL7896708 0.99 S1PR1 (0.71) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL4822056 0.99 S1PR1 (0.70) S1PR1S1PR4S1PR3S1PR5TNNC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10548858-B2 Inhibition of sphingosine 1-phosphate receptor for treatment and prevention of lymphedema MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-02-04 US claimed
EP-3500308-A1 INHIBITION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR FOR TREATMENT AND PREVENTION OF LYMPHEDEMA Memorial Sloan Kettering Cancer Center (US) 2019-06-26 EP claimed
US-20190183818-A1 Inhibition of Sphingosine 1-Phosphate Receptor for Treatment and Prevention of Lymphedema MEMORIAL SLOAN KETTERING CANCER CENTER 2019-06-20 US claimed
WO-2018035292-A1 INHIBITION OF SPHINGOSINE L-PHOSPHATE RECEPTOR FOR TREATMENT AND PREVENTION OF LYMPHEDEMA MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-02-22 WO claimed
US-20170020826-A1 STABILIZATION OF ALCOHOL INTOXICATION-INDUCED CARDIOVASCULAR INSTABILITY UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-26 US claimed
EP-1915130-B1 LIQUID FORMULATIONS NOVARTIS AG (CH) 2016-07-13 EP claimed
US-20150283154-A1 METHODS OF INHIBITING VASCULAR PERMEABILITY AND APOPTOSIS UNIV CONNECTICUT (US) 2015-10-08 US claimed
US-20150087720-A1 Dosage Regimen of an S1P Receptor Agonist NOVARTIS AG (CH) 2015-03-26 US claimed
US-20130065954-A1 OPHTHALMIC USES OF S1P RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-03-14 US claimed
EP-2488168-A1 COMBINATION THERAPY TREATMENT FOR VIRAL INFECTIONS Gemmus Pharma Inc. (US) 2012-08-22 EP claimed
US-20080039530-A1 Methods of Inhibiting Vascular Permeability and Apoptosis UNIVERSITY OF CONNECTICUT (US) 2008-02-14 US claimed
WO-2005035003-A9 COMPOSITIONS AND METHODS FOR INCREASING DRUG EFFICIENCY DIHEDRON CORP (US) 2007-08-23 WO claimed
US-20070149597-A1 Medicinal composition as immunosuppressant SANKYO COMPANY, LIMITED (JP) 2007-06-28 US claimed
EP-1782804-A1 MEDICINAL COMPOSITION AS IMMUNOSUPPRESSANT Sankyo Company, Limited (JP) 2007-05-09 EP claimed
WO-2007041368-A2 DPP IV INHIBITOR FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND GRAFT REJECTION NOVARTIS AG (CH) 2007-04-12 WO claimed
EP-1643983-A2 METHODS OF INHIBITING VASCULAR PERMEABILITY AND APOPTOSIS The University of Connecticut (US) 2006-04-12 EP claimed
WO-2005035003-A2 COMPOSITIONS AND METHODS FOR INCREASING DRUG EFFICIENCY DIHEDRON CORPORATION (US) 2005-04-21 WO claimed
WO-2005002559-A2 METHODS OF INHIBITING VASCULAR PERMEABILITY AND APOPTOSIS UNIVERSITY OF CONNECTICUT (US) 2005-01-13 WO claimed
EP-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP claimed
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP 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-20130065954-A1 OPHTHALMIC USES OF S1P RECEPTOR MODULATORS S1PR5, S1PR2, S1PR1 S1PR1 3/4885S1PR4 5/4885S1PR3 4/4885
US-20150283154-A1 METHODS OF INHIBITING VASCULAR PERMEABILITY AND APOPTOSIS SPHK1, SPHK2, S1PR2 S1PR1 4/4885S1PR4 5/4885S1PR3 7/4885
US-20150087720-A1 Dosage Regimen of an S1P Receptor Agonist S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR4 3/4885S1PR3 5/4885
US-20070149597-A1 Medicinal composition as immunosuppressant HMGCR, SHMT1, CYP11B1 S1PR1 361/4885S1PR4 1363/4885S1PR3 550/4885
US-20080039530-A1 Methods of Inhibiting Vascular Permeability and Apoptosis SPHK2, SPHK1, S1PR2 S1PR1 4/4885S1PR4 5/4885S1PR3 7/4885

“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.