SCHEMBL14722382

SCHEMBL14722382

CC(=O)NC(CO)(CO)CCCCCCCCCCCCCCCF

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
PKM P14618 2/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL14733185 1.00 HTT (0.39) HTTPKMTHRBMEN1MAPT
SCHEMBL14733226 0.85 HTT (0.41) HTTPKMTHRBMEN1MAPT
SCHEMBL8498943 0.83 MEN1 (0.51) HTTPKMTHRBMEN1MAPT
SCHEMBL15804698 0.83 MEN1 (0.51) HTTPKMTHRBMEN1MAPT
SCHEMBL14733163 0.83 MEN1 (0.51) HTTPKMTHRBMEN1MAPT
SCHEMBL15796686 0.80 S1PR1 (0.46)
SCHEMBL8499776 0.80 HTT (0.41) HTTPKMTHRBMEN1MAPT
SCHEMBL8499794 0.80 HTT (0.41) HTTPKMTHRBMEN1MAPT
SCHEMBL8499406 0.80 HTT (0.41) HTTPKMTHRBMEN1MAPT
SCHEMBL9816463 0.75 KDM4E (0.45) HTTPKMTHRBMEN1MAPT

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 11 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-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
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
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
EP-2705283-A1 DIAPHRAGM Daikin Industries, Ltd. (JP) 2014-03-12 EP 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
WO-2013027783-A1 DIAPHRAGM DAIKIN INDUSTRIES, LTD. (JP) 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 1605/4885THRB 735/4885

“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.