SCHEMBL14733225

SCHEMBL14733225

CCCCCCCCCCCCC/C=C/CC(NC(C)=O)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
KMT2A Q03164 2/20 0.65
ATM Q13315 2/20 0.65
MEN1 O00255 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HTT P42858 1/20 0.57
PKM P14618 2/20 0.55
THRB P10828 1/20 0.55
KDM4E B2RXH2 1/20 0.53
FAAH O00519 4/20 0.48
RECQL P46063 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
PPARA Q07869 2/20 0.41
GGPS1 O95749 1/20 0.41
TERT O14746 3/20 0.41
BLM P54132 2/20 0.41
HSD17B10 Q99714 2/20 0.41
FABP4 P15090 2/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL8499459 0.90 ATM (0.81) MAPTKMT2AATMMEN1L3MBTL1
SCHEMBL8499460 0.90 ATM (0.81) MAPTKMT2AATMMEN1L3MBTL1
SCHEMBL8498780 0.89 ATM (0.83) MAPTKMT2AATMMEN1L3MBTL1
SCHEMBL8498782 0.89 ATM (0.83) MAPTKMT2AATMMEN1L3MBTL1
SCHEMBL11091843 0.85 PKM (0.54) MAPTKMT2AATMMEN1L3MBTL1
SCHEMBL11091845 0.85 PKM (0.54) MAPTKMT2AATMMEN1L3MBTL1
SCHEMBL14721806 0.82 TERT (0.49) MAPTKMT2AATMFAAHRECQL
SCHEMBL14721805 0.82 TERT (0.49) MAPTKMT2AATMFAAHRECQL
SCHEMBL8499709 0.82 PKM (0.62) MAPTKMT2AATMMEN1L3MBTL1
SCHEMBL10717177 0.80 PKM (0.58) MAPTKMT2AATMMEN1L3MBTL1

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 3 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-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 MAPT 3493/4885KMT2A 4199/4885ATM 4049/4885

“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.