SCHEMBL1017329

SCHEMBL1017329

CCCCCC(C(=O)[O-])([N+](C)(C)C)S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.33
CES1 P23141 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GRK2 P25098 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL3402212 0.98 CES2 (0.36) CES2CES1EPHX1
SCHEMBL447524 0.98 CES2 (0.36) CES2CES1EPHX1
SCHEMBL73154 0.98 CES2 (0.36) CES2CES1EPHX1
SCHEMBL905454 0.98 CES2 (0.36) CES2CES1EPHX1
SCHEMBL3185089 0.98 CES2 (0.36) CES2CES1EPHX1
SCHEMBL905462 0.98 CES2 (0.36) CES2CES1EPHX1
SCHEMBL6243940 0.95 MEN1 (0.33) CES2CES1MEN1LMNAPOLB
SCHEMBL1033519 0.87 BBOX1 (0.30)
SCHEMBL8490429 0.85 BBOX1 (0.44) MEN1LMNAPOLBGRK2KMT2A
SCHEMBL8495180 0.85 BBOX1 (0.44) MEN1LMNAPOLBGRK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313829-A1 TOPICAL FORMULATIONS FOR THE PREVENTION AND TREATMENT OF ALOPECIA AND INHIBITION OF HAIR GROWTH UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) 2015-11-05 US claimed
JP-4838936-B2 2011-12-14 JP claimed
US-7591949-B2 Method for the improvement of transport across adaptable semi-permeable barriers IDEA AG (DE) 2009-09-22 US claimed
US-20080311184-A1 METHOD FOR DEVELOPING, TESTING, AND USING ASSOCIATES OF MACROMOLECULES AND COMPLEX AGGREGATES FOR IMPROVED PAYLOAD AND CONTROLLABLE DE/ASSOCIATION RATES IDEA AG (DE) 2008-12-18 US claimed
EP-1829527-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-09-05 EP claimed
EP-1829528-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-09-05 EP claimed
US-20070184114-A1 Formulation for topical non-invasive application in vivo IDEA AG (DE) 2007-08-09 US claimed
EP-1815846-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-08-08 EP claimed
EP-1815847-A2 Aggregate with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2007-08-08 EP claimed
EP-1551370-A1 AGGREGATE WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN IDEA AG (DE) 2005-07-13 EP claimed
US-20040105881-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin IDEA AG (DE) 2004-06-03 US claimed
WO-2004032900-A1 AGGREGATE WITH INCREASED DEFORMABILITY, COMPRISING AT LEAST THREE AMPHIPATS, FOR IMPROVED TRANSPORT THROUGH SEMI-PERMEABLE BARRIERS AND FOR THE NON-INVASIVE DRUG APPLICATION IN VIVO, ESPECIALLY THROUGH THE SKIN IDEA AG (DE) 2004-04-22 WO claimed
US-20030099694-A1 Method for the improvement of transport across adaptable semi-permeable barriers IDEA AG (DE) 2003-05-29 US claimed
JP-2002533379-A 2002-10-08 JP claimed
US-20020064524-A1 Formulation for topical non-invasive application in vivo IDEA AG (DE) 2002-05-30 US claimed
EP-1140021-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG (DE) 2001-10-10 EP claimed
WO-2001001962-A1 A METHOD FOR THE IMPROVEMENT OF TRANSPORT ACROSS ADAPTABLE SEMI-PERMEABLE BARRIERS IDEA AG. (DE) 2001-01-11 WO claimed
EP-1039880-A1 METHOD FOR DEVELOPING, TESTING AND USING ASSOCIATES OF MACROMOLECULES AND COMPLEX AGGREGATES FOR IMPROVED PAYLOAD AND CONTROLLABLE DE/ASSOCIATION RATES Idea Innovative Dermale Applikationen GmbH (DE) 2000-10-04 EP claimed
WO-2000038653-A1 IMPROVED FORMULATION FOR TOPICAL NON-INVASIVE APPLICATION IN VIVO IDEA AG. (DE) 2000-07-06 WO claimed
WO-2000024377-A1 METHOD FOR DEVELOPING, TESTING AND USING ASSOCIATES OF MACROMOLECULES AND COMPLEX AGGREGATES FOR IMPROVED PAYLOAD AND CONTROLLABLE DE/ASSOCIATION RATES IDEA INNOVATIVE DERMALE APPLIKATIONEN GMBH (DE) 2000-05-04 WO 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 (4 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-20020064524-A1 Formulation for topical non-invasive application in vivo CUTA, LPO, GPX4 CES2 2800/4885CES1 2561/4885MEN1 2394/4885
US-20040105881-A1 Aggregates with increased deformability, comprising at least three amphipats, for improved transport through semi-permeable barriers and for the non-invasive drug application in vivo, especially through the skin CUTA, ABCG2, PIGS CES2 935/4885CES1 2798/4885MEN1 4706/4885
US-20070184114-A1 Formulation for topical non-invasive application in vivo GPX4, LPO, MMP8 CES2 3034/4885CES1 2823/4885MEN1 2416/4885
US-20030099694-A1 Method for the improvement of transport across adaptable semi-permeable barriers ABCG2, NPC1L1, KIT CES2 2042/4885CES1 1341/4885MEN1 1789/4885

“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.