SCHEMBL173187

SCHEMBL173187

COC1CCC(N(C(=O)C2CCC(C)CC2)c2cc(C(C)(C)C)sc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.45
CYP2E1 P05181 1/20 0.39

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
SCHEMBL173156 0.91 NR1I2 (0.37) NR1I2
SCHEMBL173093 0.89 NR1I2 (0.47) NR1I2CYP2E1
SCHEMBL9965151 0.89 NR1I2 (0.47) NR1I2CYP2E1
SCHEMBL10207383 0.89 NR1I2 (0.51) NR1I2CYP2E1
SCHEMBL9965152 0.88 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL14685772 0.88 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL9965144 0.88 NR1I2 (0.42) NR1I2CYP2E1
SCHEMBL14708737 0.88 NR1I2 (0.46) NR1I2CYP2E1
SCHEMBL12819798 0.88 NR1I2 (0.46) NR1I2CYP2E1
SCHEMBL12945375 0.88 NR1I2 (0.42) NR1I2CYP2E1

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 388/4885CYP2E1 98/4885
US-20120301430-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 NR1I2 388/4885CYP2E1 98/4885
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections TTR, ZC3HAV1, IRF3 NR1I2 388/4885CYP2E1 98/4885

“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.