SCHEMBL2350982

SCHEMBL2350982

CCCCCCOc1ccc(-c2noc(-c3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.70
TP53 P04637 1/20 0.67
TSHR P16473 1/20 0.67
PLA2G4B P0C869 6/20 0.65
PLA2G4A P47712 1/20 0.60
S1PR1 P21453 1/20 0.59
S1PR3 Q99500 1/20 0.59
PTPN11 Q06124 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
ACACB O00763 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL16199815 0.91 S1PR1 (0.59) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL12243191 0.91 S1PR1 (0.59) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL6132663 0.91 RARB (0.55) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL6132571 0.91 RARB (0.55) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL12294471 0.89 S1PR1 (0.58) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL13926721 0.89 S1PR1 (0.69) RARBTP53S1PR1S1PR3NPC1
SCHEMBL7340382 0.88 S1PR1 (0.57) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL61028 0.87 NPC1 (0.60) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL12243347 0.87 S1PR1 (0.56) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL14072336 0.86 NPC1 (0.61) RARBPLA2G4BS1PR1S1PR3PTPN11

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
US-8921309-B2 Lipopeptide compounds and their use UNIQUEST PTY LIMITED (AU) 2014-12-30 US disclosed
EP-2350119-B1 LIPOPEPTIDE COMPOUNDS AND THEIR USE UNIQUEST PTY LTD (AU) 2014-10-29 EP disclosed
EP-2350119-B1 LIPOPEPTIDE COMPOUNDS AND THEIR USE UNIQUEST PTY LTD (AU) 2014-10-29 EP disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
US-20110224129-A1 Lipopeptide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-15 US disclosed
EP-2350119-A1 LIPOPEPTIDE COMPOUNDS AND THEIR USE Merlion Pharmaceuticals Pte Ltd. (SG) 2011-08-03 EP disclosed
WO-2010062264-A1 LIPOPEPTIDE COMPOUNDS AND THEIR USE MERLION PHARMACEUTICALS PTE LTD (SG) 2010-06-03 WO disclosed
WO-2010062264-A1 LIPOPEPTIDE COMPOUNDS AND THEIR USE MERLION PHARMACEUTICALS PTE LTD (SG) 2010-06-03 WO disclosed
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 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 (1 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-20110224129-A1 Lipopeptide Compounds and Their Use VIP, LTA, CLPTM1 RARB 2792/4885TP53 3875/4885TSHR 2537/4885

“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.