SCHEMBL173182

SCHEMBL173182

COC(=O)c1sc(C(C)(C)C)cc1N(C(=O)C1CCC(C)CC1)C1CCC2(CC1)OCCO2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.34
RAF1 P04049 11/20 0.34
C5AR1 P21730 3/20 0.33
CYP2E1 P05181 1/20 0.33
MAPK14 Q16539 7/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14669085 1.00 NR1I2 (0.34) NR1I2RAF1C5AR1CYP2E1MAPK14
SCHEMBL12516366 0.90 RAF1 (0.38) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL12516055 0.90 RAF1 (0.38) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL14669291 0.89 NR1I2 (0.35) NR1I2RAF1CYP2E1MAPK14MAPK13
SCHEMBL14670328 0.88 C5AR1 (0.33) NR1I2C5AR1
SCHEMBL12949470 0.88 NR1I2 (0.33) NR1I2RAF1CYP2E1MAPK14MAPK13
SCHEMBL12949400 0.88 NR1I2 (0.41) NR1I2RAF1MAPK14MAPK13MAPK12
SCHEMBL132634 0.87 C5AR1 (0.33) NR1I2C5AR1
SCHEMBL132763 0.87 C5AR1 (0.34) NR1I2C5AR1
SCHEMBL102278 0.87 C5AR1 (0.33) NR1I2C5AR1

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-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
US-8003685-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2011-08-23 US disclosed
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2008-12-04 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 (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-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 NR1I2 388/4885RAF1 1444/4885C5AR1 2860/4885
US-20120301430-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 NR1I2 388/4885RAF1 1444/4885C5AR1 2860/4885
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections TTR, ZC3HAV1, IRF3 NR1I2 388/4885RAF1 1444/4885C5AR1 2860/4885

“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.