SCHEMBL320070

SCHEMBL320070

COC(=O)c1sc(-c2ccccc2)cc1NCC(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
PTGS2 P35354 2/20 0.53
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
ATM Q13315 1/20 0.52
HSD17B10 Q99714 1/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
ABCC1 P33527 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL319526 0.92 KDM4E (0.59) MAPTKDM4EALDH1A1LMNAPTGS2
SCHEMBL10265434 0.81 HPGD (0.52) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL10264923 0.80 PTGS2 (0.41) KDM4EALDH1A1PTGS2HPGDHTT
SCHEMBL10265128 0.80 KDM4E (0.43) MAPTKDM4EALDH1A1LMNAPTGS2
SCHEMBL10265406 0.80 RAF1 (0.47) PTGS2
SCHEMBL10265728 0.80 PTGS2 (0.45) KDM4EALDH1A1PTGS2HPGDHTT
SCHEMBL10265436 0.79 PTGS2 (0.45) KDM4EALDH1A1PTGS2HPGDHTT
SCHEMBL10265386 0.78 PTGS2 (0.44) KDM4EALDH1A1PTGS2HPGDHTT
SCHEMBL2158421 0.78 HPGD (0.67) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL319096 0.77 PTGS2 (0.43) KDM4EALDH1A1PTGS2HPGDHTT

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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 US disclosed
EP-2585447-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-05-01 EP disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SLC10A1, ACE, CEL MAPT 410/4885KDM4E 4146/4885ALDH1A1 739/4885

“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.