SCHEMBL102046

SCHEMBL102046

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)O)C2CCC(n3cncn3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.36
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
EPHX2 P34913 1/20 0.33
TACR2 P21452 1/20 0.32
CYP2E1 P05181 1/20 0.31
NR1H4 Q96RI1 2/20 0.31

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
SCHEMBL17635079 0.86 KDM4E (0.42) NR1I2KDM4EHTTATM
SCHEMBL2878321 0.86 KDM4E (0.42) NR1I2KDM4EHTTATM
SCHEMBL101724 0.85 NR1I2 (0.38) NR1I2KDM4EHTTATMEPHX2
SCHEMBL4366112 0.85 NR1I2 (0.36) NR1I2
SCHEMBL4361156 0.85 NR1I2 (0.36) NR1I2
SCHEMBL2611967 0.85 NR1I2 (0.36) NR1I2
SCHEMBL173102 0.84 NR1I2 (0.42) NR1I2CYP2E1
Hydrochloric Acid SCHEMBL14562604 0.84 NR1I2 (0.35) NR1I2
Hydrochloric Acid SCHEMBL14562605 0.84 NR1I2 (0.35) NR1I2
Vch-759 Free Acid SCHEMBL5029770 0.84 KDM4E (0.40) NR1I2KDM4EHTTATMCYP2E1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658674-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-25 US disclosed
US-8658674-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-25 US 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-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-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-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 388/4885KDM4E 1474/4885HTT 1666/4885
US-20120301430-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 NR1I2 388/4885KDM4E 1474/4885HTT 1666/4885
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections TTR, ZC3HAV1, IRF3 NR1I2 388/4885KDM4E 1474/4885HTT 1666/4885

“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.