SCHEMBL295667

SCHEMBL295667

NC(CO)(CO)CCc1ccc(C(=O)CCCCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.62
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 1/20 0.58
CASP3 P42574 1/20 0.58
RAB9A P51151 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
TNNC1 P63316 5/20 0.55
S1PR1 P21453 4/20 0.55
S1PR4 O95977 2/20 0.55
S1PR3 Q99500 2/20 0.55
SGPL1 O95470 1/20 0.55
GPR183 P32249 1/20 0.55
CERS2 Q96G23 1/20 0.55
S1PR5 Q9H228 1/20 0.55
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL3511410 0.99 DPP4 (0.61) DPP4TDP1NPC1CASP3RAB9A
Hydrochloric Acid SCHEMBL1820938 0.99 DPP4 (0.61) DPP4TDP1NPC1CASP3RAB9A
SCHEMBL5991627 0.99 DPP4 (0.61) DPP4TDP1NPC1CASP3RAB9A
SCHEMBL3509404 0.88 DPP4 (0.58) DPP4TDP1NPC1CASP3RAB9A
SCHEMBL3511025 0.88 DPP4 (0.58) DPP4TDP1NPC1CASP3RAB9A
SCHEMBL27462751 0.86 DPP4 (0.62) DPP4TDP1NPC1CASP3RAB9A
SCHEMBL4810741 0.86 S1PR1 (0.65) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL4818458 0.85 S1PR1 (0.67) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL27529280 0.85 DPP4 (0.61) DPP4TDP1NPC1CASP3RAB9A
SCHEMBL27553090 0.85 DPP4 (0.61) DPP4TDP1NPC1CASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117065037-A Pharmaceutical compositions comprising S1P modulators 诺华股份有限公司 2023-11-17 CN claimed
CN-110548011-A Pharmaceutical compositions comprising S1P modulators NOVARTIS AG 2019-12-10 CN claimed
EP-3103448-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN S1P MODULATOR NOVARTIS AG (CH) 2016-12-14 EP claimed
EP-1915130-B1 LIQUID FORMULATIONS NOVARTIS AG (CH) 2016-07-13 EP claimed
US-20150087720-A1 Dosage Regimen of an S1P Receptor Agonist NOVARTIS AG (CH) 2015-03-26 US claimed
US-20140271541-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS NOVARTIS AG (CH) 2014-09-18 US claimed
US-20140227358-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-08-14 US claimed
US-20130065954-A1 OPHTHALMIC USES OF S1P RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-03-14 US claimed
US-20120288559-A1 ORGANIC COMPOUNDS AMBUEHL MICHAEL (US) 2012-11-15 US claimed
US-20120225031-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS FOSTER CAROLYN ANN (AT) 2012-09-06 US claimed
US-20060275357-A1 Organic compounds OOMURA TOMOYUKI 2006-12-07 US claimed
US-RE39072-E1 2-aminopropane-1,3-diol compounds, medicinal use thereof, and intermediates in synthesizing the same MITSUBISHI PHARMA CORPORATION (JP) 2006-04-18 US claimed
US-20060046979-A1 Combination therapy of sphingosine-1-phosphate (S1P) receptor agonist and coagent for treating demylination disease FOSTER CAROLYN A 2006-03-02 US claimed
EP-1613288-A1 SOLID PHARMACEUTICAL COMPOSITIONS COMPRISING A S1P RECEPTOR AGONIST AND A SUGAR ALCOHOL Novartis AG (CH) 2006-01-11 EP claimed
EP-1575576-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2005-09-21 EP claimed
WO-2004089341-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2004-10-21 WO claimed
EP-1002792-B1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME MITSUBISHI PHARMA CORP (JP) 2004-07-14 EP claimed
WO-2004028521-A2 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS NOVARTIS AG (CH) 2004-04-08 WO claimed
US-6214873-B1 PREVENTION OR SUPPRESION OF REJECTION OF ORGANS OR BONE MARROW TRANSPLANTATION; TREATMENT OF AUTOIMMUNE DISEASES OR ALLERGIC DISEASES; DECREASE IN TOXICITY AND HIGHER SAFETY WELFIDE CORPORATION (JP) 2001-04-10 US claimed
EP-1002792-A1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-05-24 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 (8 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-20120225031-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 DPP4 1685/4885TDP1 393/4885NPC1 1432/4885
US-20060275357-A1 Organic compounds S1PR1, S1PR2, S1PR3 DPP4 1531/4885TDP1 3572/4885NPC1 167/4885
US-20140227358-A1 ORGANIC COMPOUNDS S1PR1, S1PR3, S1PR2 DPP4 1686/4885TDP1 2821/4885NPC1 405/4885
US-20130065954-A1 OPHTHALMIC USES OF S1P RECEPTOR MODULATORS S1PR5, S1PR2, S1PR1 DPP4 2230/4885TDP1 3115/4885NPC1 675/4885
US-20060046979-A1 Combination therapy of sphingosine-1-phosphate (S1P) receptor agonist and coagent for treating demylination disease S1PR1, S1PR4, S1PR2 DPP4 1298/4885TDP1 165/4885NPC1 834/4885
US-20140271541-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS S1PR1, S1PR2, S1PR4 DPP4 1685/4885TDP1 393/4885NPC1 1432/4885
US-20150087720-A1 Dosage Regimen of an S1P Receptor Agonist S1PR1, S1PR2, S1PR4 DPP4 3457/4885TDP1 2062/4885NPC1 408/4885
US-20120288559-A1 ORGANIC COMPOUNDS S1PR1, S1PR3, S1PR2 DPP4 1686/4885TDP1 2821/4885NPC1 405/4885

“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.