SCHEMBL3208131

SCHEMBL3208131

[CH2]Cc1ccc(C(=O)CCCCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.71
TDP1 Q9NUW8 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
L3MBTL1 Q9Y468 3/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
RXFP1 Q9HBX9 1/20 0.54
ACHE P22303 1/20 0.53
SGMS1 Q86VZ5 1/20 0.53
SGMS2 Q8NHU3 1/20 0.53
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
HDAC1 Q13547 6/20 0.51
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 3/20 0.50

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
SCHEMBL27463271 0.90 DPP4 (0.81) DPP4TDP1NPC1RAB9ACASP3
SCHEMBL3070677 0.86 TDP1 (0.89) DPP4TDP1NPC1RAB9ACASP3
SCHEMBL5991486 0.85 DPP4 (0.73) DPP4TDP1NPC1RAB9ACASP3
SCHEMBL8559822 0.84 TDP1 (0.85) DPP4TDP1NPC1RAB9ACASP3
SCHEMBL9242650 0.84 TDP1 (0.85) DPP4TDP1NPC1RAB9ACASP3
SCHEMBL7426101 0.84 TDP1 (0.85) DPP4TDP1NPC1RAB9ACASP3
SCHEMBL5993545 0.84 DPP4 (0.71) DPP4TDP1NPC1RAB9ACASP3
SCHEMBL8894978 0.84 MAPT (0.74) DPP4TDP1NPC1RAB9ACASP3
SCHEMBL7704524 0.82 DPP4 (0.69) DPP4TDP1NPC1RAB9ACASP3
SCHEMBL8896277 0.81 TDP1 (0.79) DPP4TDP1NPC1RAB9ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270499-A1 Use for 2-amino-2-propane-1, 3-diols WELSCH CAROLE 2007-11-22 US claimed
US-20040214897-A1 Uses for 2-amino-2-propane-1,3-diols WELSCH CAROLE 2004-10-28 US claimed
WO-2003009836-A2 NEW USES FOR 2-AMINO-2-PROPANE-1,3-DIOLS NOVARTIS AG (CH) 2003-02-06 WO claimed
CN-110548011-A Pharmaceutical compositions comprising S1P modulators NOVARTIS AG 2019-12-10 CN disclosed
EP-3103448-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN S1P MODULATOR NOVARTIS AG (CH) 2016-12-14 EP disclosed
US-20160338978-A1 Organic Compounds NOVARTIS AG (CH) 2016-11-24 US disclosed
CN-105012266-A Pharmaceutical compositions comprising S1P receptor NOVARTIS AG 2015-11-04 CN disclosed
US-20140227358-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20120288559-A1 ORGANIC COMPOUNDS AMBUEHL MICHAEL (US) 2012-11-15 US disclosed
US-20100040678-A1 ORGANIC COMPOUNDS AMBUHL MICHAEL 2010-02-18 US disclosed
CN-101516345-A Pharmaceutical compositions comprising S1P modulators NOVARTIS AG (CH) 2009-08-26 CN disclosed
WO-2008037421-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN S1P MODULATOR NOVARTIS AG (CH) 2008-04-03 WO disclosed
EP-1905434-A1 Organic compounds comprising an S1P receptor agonist and their therapeutic use Novartis AG (CH) 2008-04-02 EP disclosed
US-20070270499-A1 Use for 2-amino-2-propane-1, 3-diols WELSCH CAROLE 2007-11-22 US disclosed
CN-1290819-C 2-aminopropane-1,3-glycol compound, its use as medicine and its synthetic intermediate MITSUBISHI PHARMACEUTICAL CO L (JP) 2006-12-20 CN disclosed
US-20040214897-A1 Uses for 2-amino-2-propane-1,3-diols WELSCH CAROLE 2004-10-28 US disclosed
CN-1480450-A 2-aminopropane-1,3-glycol compound, its use as medicine and its synthetic intermediate ������ҩ��ʽ���� 2004-03-10 CN disclosed
CN-1137086-C 2-aminopropane-1, 3-diol compound, use thereof as medicine and synthetic intermediate thereof ������ҩ��ʽ���� 2004-02-04 CN disclosed
WO-2003009836-A2 NEW USES FOR 2-AMINO-2-PROPANE-1,3-DIOLS NOVARTIS AG (CH) 2003-02-06 WO disclosed
CN-1259117-A 2-aminopropane-1, 3-diol compound, use thereof as medicine and synthetic intermediate thereof YOSHITOMI PHARMACEUTICAL (JP) 2000-07-05 CN 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 (6 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-20160338978-A1 Organic Compounds S1PR1, S1PR4, S1PR3 DPP4 1542/4885TDP1 3109/4885NPC1 319/4885
US-20140227358-A1 ORGANIC COMPOUNDS S1PR1, S1PR3, S1PR2 DPP4 1686/4885TDP1 2821/4885NPC1 405/4885
US-20040214897-A1 Uses for 2-amino-2-propane-1,3-diols DGKB, GLS2, GLS DPP4 3386/4885TDP1 2176/4885NPC1 2912/4885
US-20070270499-A1 Use for 2-amino-2-propane-1, 3-diols DGKB, GLS2, GLS DPP4 3612/4885TDP1 2253/4885NPC1 2781/4885
US-20120288559-A1 ORGANIC COMPOUNDS S1PR1, S1PR3, S1PR2 DPP4 1686/4885TDP1 2821/4885NPC1 405/4885
US-20100040678-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.