SCHEMBL2608501

SCHEMBL2608501

CSC(=S)C1c2ccccc2N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX4 Q99571 1/20 0.40
P2RX7 Q99572 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
FUCA1 P04066 2/20 0.37
IDO1 P14902 2/20 0.37
POLB P06746 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 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
SCHEMBL2612416 0.79 P2RX1 (0.35) P2RX1P2RX3P2RX4P2RX7CACNA1G
SCHEMBL496708 0.77 EGFR (0.38) KMT2AMEN1ALDH1A1HPGDIDO1
SCHEMBL3859755 0.76 RXFP1 (0.49) P2RX1P2RX3P2RX4P2RX7CACNA1G
SCHEMBL2608497 0.75 RXFP1 (0.35) P2RX1P2RX3P2RX4P2RX7CACNA1G
SCHEMBL2870534 0.73 CACNA1G (0.48) CACNA1GCACNA1HCACNA1IRXFP1TSHR
SCHEMBL2873764 0.72 HDAC4 (0.60) P2RX1P2RX3P2RX4P2RX7CACNA1G
SCHEMBL1868600 0.71 RXFP1 (0.49) P2RX1P2RX3P2RX4P2RX7CACNA1G
SCHEMBL10028542 0.70 ALDH1A1 (0.47) P2RX1P2RX3P2RX4P2RX7RXFP1
SCHEMBL10028496 0.69 ALDH1A1 (0.50) P2RX1P2RX3P2RX4P2RX7RXFP1
SCHEMBL31310490 0.69 RXFP1 (0.63) P2RX1P2RX3P2RX4P2RX7RXFP1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027453-B1 NONSEPARATION ASSAY METHODS BECKMAN COULTER INC (US) 2017-03-15 EP disclosed
EP-2021778-B1 NONSEPARATION ASSAY METHODS BECKMAN COULTER INC (US) 2017-03-15 EP disclosed
US-8389298-B2 Methods using novel chemiluminescent labels LUMIGEN, INC. (US) 2013-03-05 US disclosed
US-8389298-B2 Methods using novel chemiluminescent labels LUMIGEN, INC. (US) 2013-03-05 US disclosed
US-8377647-B2 Nonseparation assay methods BECKMAN COULTER, INC. (US) 2013-02-19 US disclosed
US-8377647-B2 Nonseparation assay methods BECKMAN COULTER, INC. (US) 2013-02-19 US disclosed
US-20120094313-A1 Nonseparation Assay Methods BECKMAN COULTER, INC. (US) 2012-04-19 US disclosed
US-20120094313-A1 Nonseparation Assay Methods BECKMAN COULTER, INC. (US) 2012-04-19 US disclosed
US-8124362-B2 Nonseparation assay methods BECKMAN COULTER, INC. (US) 2012-02-28 US disclosed
US-8124362-B2 Nonseparation assay methods BECKMAN COULTER, INC. (US) 2012-02-28 US disclosed
US-7732153-B2 Nonseparation assay methods BECKMAN COULTER, INC. (US) 2010-06-08 US disclosed
US-7732153-B2 Nonseparation assay methods BECKMAN COULTER, INC. (US) 2010-06-08 US disclosed
US-7682839-B2 Methods using novel chemiluminescent labels LUMIGEN, INC. (US) 2010-03-23 US disclosed
US-7682839-B2 Methods using novel chemiluminescent labels LUMIGEN, INC. (US) 2010-03-23 US disclosed
US-20070264664-A1 Nonseparation assay methods NEXGEN DIAGNOSTICS LLC 2007-11-15 US disclosed
US-20070264665-A1 Nonseparation assay methods BECKMAN COULTER, INC. 2007-11-15 US disclosed
US-20070264665-A1 Nonseparation assay methods BECKMAN COULTER, INC. 2007-11-15 US disclosed
US-20070264664-A1 Nonseparation assay methods NEXGEN DIAGNOSTICS LLC 2007-11-15 US disclosed
US-20070172878-A1 Methods using novel chemiluminescent labels LUMIGEN, INC. 2007-07-26 US disclosed
US-20070172878-A1 Methods using novel chemiluminescent labels LUMIGEN, INC. 2007-07-26 US 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-20070172878-A1 Methods using novel chemiluminescent labels HLCS, LANCL1, ACR P2RX1 4024/4885P2RX3 3825/4885P2RX4 3940/4885

“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.