SCHEMBL14733226

SCHEMBL14733226

CC(=O)NC(CO)(CO)CCCCCCCCCCCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
PKM P14618 2/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL15804698 0.86 MEN1 (0.51) HTTPKMTHRBMEN1KMT2A
SCHEMBL8498943 0.86 MEN1 (0.51) HTTPKMTHRBMEN1KMT2A
SCHEMBL14733163 0.86 MEN1 (0.51) HTTPKMTHRBMEN1KMT2A
SCHEMBL14722382 0.85 HTT (0.39) HTTPKMTHRBMEN1KMT2A
SCHEMBL14733185 0.85 HTT (0.39) HTTPKMTHRBMEN1KMT2A
SCHEMBL8497643 0.80 HTT (0.42) HTTPKMCYP4F2CYP4A11THRB
SCHEMBL9816463 0.78 KDM4E (0.45) HTTPKMTHRBMEN1KMT2A
SCHEMBL18622068 0.72 PKM (0.45) HTTPKMTHRBMEN1KMT2A
SCHEMBL8495637 0.71 POLB (0.45) KMT2AMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL20388578 0.69 PKM (0.40) HTTPKMTHRBMEN1KMT2A

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 4 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
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 HTT 4030/4885PKM 1605/4885CYP4F2 2625/4885

“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.