SCHEMBL2105974

SCHEMBL2105974

COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C1CCN(C(=O)C(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
NR1I2 O75469 2/20 0.32
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL2611949 1.00 ALDH1A1 (0.33) ALDH1A1NR1I2HPGDPOLBKDM4E
SCHEMBL2105108 0.91 NR1I2 (0.39) NR1I2
SCHEMBL2611948 0.91 NR1I2 (0.39) NR1I2
SCHEMBL2105741 0.89 NR1I2 (0.35) ALDH1A1NR1I2KDM4EHTTATM
SCHEMBL2105738 0.89 NR1I2 (0.35) ALDH1A1NR1I2KDM4EHTTATM
SCHEMBL10240847 0.88 OPRD1 (0.37)
SCHEMBL2107369 0.88 MEN1 (0.38) ALDH1A1NR1I2
SCHEMBL2107627 0.88 NR1I2 (0.32) ALDH1A1NR1I2
SCHEMBL2107370 0.88 MEN1 (0.38) ALDH1A1NR1I2
SCHEMBL2107629 0.88 NR1I2 (0.32) ALDH1A1NR1I2

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-8674118-B2 Compounds and methods for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-18 US disclosed
EP-1879879-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2013-03-27 EP disclosed
EP-2546246-A2 Compounds and methods for the treatment or prevention of flavivirus infections Virochem Pharma Inc. (CA) 2013-01-16 EP disclosed
EP-2543664-A1 Compounds and methods for the treatment or prevention of flavivirus infections Virochem Pharma Inc. (CA) 2013-01-09 EP disclosed
US-20120164103-A1 Compounds and Methods for the Treatment or Prevention of Flavivirus Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-06-28 US disclosed
US-8158675-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-04-17 US disclosed
US-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2010-04-15 US disclosed
US-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 US disclosed
EP-1879879-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Virochem Pharma Inc. (CA) 2008-01-23 EP disclosed
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2006-12-07 US disclosed
WO-2006119646-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2006-11-16 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 (3 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-20120164103-A1 Compounds and Methods for the Treatment or Prevention of Flavivirus Infections ZC3HAV1, YBX1, HAX1 ALDH1A1 693/4885NR1I2 441/4885HPGD 4072/4885
US-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, YBX1, HAX1 ALDH1A1 693/4885NR1I2 441/4885HPGD 4072/4885
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, YBX1, HAX1 ALDH1A1 693/4885NR1I2 441/4885HPGD 4072/4885

“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.