SCHEMBL14733170

SCHEMBL14733170

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.70
MEN1 O00255 1/20 0.70
MAPT P10636 1/20 0.70
KMT2A Q03164 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
HTT P42858 2/20 0.62
PKM P14618 2/20 0.59
THRB P10828 1/20 0.59
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
PTPRB P23467 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.37
EPHX1 P07099 1/20 0.37
CTSK P43235 5/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL8583632 0.98 ATM (0.68) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL15796605 0.90 HTT (0.60) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8499239 0.83 MAPT (1.00) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8498720 0.83 MAPT (1.00) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8499578 0.83 MAPT (1.00) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8496580 0.83 MAPT (1.00) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8498186 0.83 MAPT (1.00) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL26447868 0.79 PKM (0.47) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL896025 0.78 PKM (0.46) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL26447855 0.78 PKM (0.46) ATMMEN1MAPTKMT2AL3MBTL1

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 5 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
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

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 ATM 4049/4885MEN1 1630/4885MAPT 3493/4885

“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.