SCHEMBL173107

SCHEMBL173107

COC(=O)c1sc(C(C)(C)C)cc1N(C(=O)C1CCC(C)CC1)C1CCC(n2cncn2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.34
RAF1 P04049 9/20 0.34
MAPK14 Q16539 2/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 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
SCHEMBL173102 0.91 NR1I2 (0.42) NR1I2
SCHEMBL137809 0.88 NR1I2 (0.48) NR1I2
SCHEMBL102054 0.88 NR1I2 (0.48) NR1I2
SCHEMBL12446819 0.87 RAF1 (0.35) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL173183 0.85 NR1I2 (0.36) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL2106257 0.85
SCHEMBL2106259 0.85
SCHEMBL173100 0.84 RAF1 (0.38) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL12945313 0.84 RAF1 (0.38) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL12949453 0.84 RAF1 (0.38) NR1I2RAF1MAPK14MAPK13MAPK12

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
EP-2559692-A1 Thiophene analogues for the treatment or prevention of Flavivirus infections Virochem Pharma Inc. (CA) 2013-02-20 EP disclosed
US-20120301430-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-11-29 US disclosed
US-8269014-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-09-18 US disclosed
US-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals ( Canada) Incorporated (CA) 2012-03-08 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 (2 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-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 NR1I2 388/4885RAF1 1444/4885MAPK14 3447/4885
US-20120301430-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 NR1I2 388/4885RAF1 1444/4885MAPK14 3447/4885

“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.