SCHEMBL8499239

SCHEMBL8499239

CCCCCCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
ATM Q13315 2/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
HTT P42858 1/20 0.90
PKM P14618 2/20 0.87
THRB P10828 1/20 0.87
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
MAPK1 P28482 1/20 0.39
CES2 O00748 1/20 0.36
EPHX1 P07099 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL8496580 1.00 MAPT (1.00) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL8499578 1.00 MAPT (1.00) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL8498720 1.00 MAPT (1.00) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL8498186 1.00 MAPT (1.00) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL8498780 0.91 ATM (0.83) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL8498782 0.91 ATM (0.83) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL8499460 0.90 ATM (0.81) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL8499459 0.90 ATM (0.81) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL7719227 0.89 HTT (0.87) MAPTATMMEN1KMT2AL3MBTL1
SCHEMBL14721328 0.89 HTT (0.87) MAPTATMMEN1KMT2AL3MBTL1

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-9345791-B2 Ligands for targeting of S1P receptors for in vivo imaging and treatment of diseases WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2016-05-24 US disclosed
US-9345791-B2 Ligands for targeting of S1P receptors for in vivo imaging and treatment of diseases WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2016-05-24 US disclosed
CN-104784068-A Hair loss preventing shampoo composition BEIERSDORF AG 2015-07-22 CN disclosed
CN-104337704-A Dandruff removing shampoo composition BEIERSDORF AG 2015-02-11 CN disclosed
CN-104207966-A High-conditioning shampoo composition BEIERSDORF AG 2014-12-17 CN disclosed
CN-104173203-A Cosmetic composition for low irritation massage BEIERSDORF AG 2014-12-03 CN disclosed
EP-2744776-A1 NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES Westfälische Wilhelms-Universität Münster (DE) 2014-06-25 EP disclosed
US-20140170067-A1 NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2014-06-19 US disclosed
US-20140170067-A1 NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2014-06-19 US disclosed
WO-2013026765-A1 NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2013-02-28 WO disclosed
WO-2013026765-A1 NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2013-02-28 WO disclosed
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP 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-20140170067-A1 NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES S1PR1, S1PR5, S1PR2 MAPT 3493/4885ATM 4049/4885MEN1 1630/4885

“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.