SCHEMBL135529

SCHEMBL135529

COC(=O)c1sc(Br)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)[C@H]1CC[C@H](O)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.30
OPRK1 P41145 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
SCHEMBL15118799 1.00 NR1I2 (0.33) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL102059 1.00 NR1I2 (0.33) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL15498374 1.00 NR1I2 (0.33) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL10193051 0.95 NR1I2 (0.32) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL2106005 0.92 NR1I2 (0.33) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL2611975 0.92 NR1I2 (0.33) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL2106004 0.92 NR1I2 (0.33) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL2107311 0.92 NR1I2 (0.33) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL102062 0.89 NR1I2 (0.34) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL139398 0.89 NR1I2 (0.34) NR1I2KDM4EHTTATMALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235703-A1 THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20140235704-A1 THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20140235705-A1 FORMULATIONS OF THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-8674118-B2 Compounds and methods for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-18 US disclosed
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-06 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-20130183266-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
EP-2104674-B1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2013-05-01 EP 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-2559691-A1 Thiophene analogues for the treatment or prevention of Flavivirus infections Virochem Pharma Inc. (CA) 2013-02-20 EP 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-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2010-04-15 US disclosed
EP-2104674-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Virochem Pharma Inc. (CA) 2009-09-30 EP disclosed
US-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 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
WO-2008058393-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2008-05-22 WO 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 (9 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-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, YBX1, HAX1 NR1I2 441/4885KDM4E 2984/4885HTT 2328/4885
US-20140235705-A1 FORMULATIONS OF THIOPHENE COMPOUNDS TPMT, NAT1, TST NR1I2 1643/4885KDM4E 3280/4885HTT 7/4885
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections TTR, ZC3HAV1, IRF3 NR1I2 388/4885KDM4E 1474/4885HTT 1666/4885
US-20140235703-A1 THIOPHENE COMPOUNDS MAP3K1, MAPK1, PEAK1 NR1I2 1415/4885KDM4E 551/4885HTT 2529/4885
US-20130183266-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SLC10A1, CEL, HAVCR2 NR1I2 1026/4885KDM4E 4612/4885HTT 2392/4885
US-20140065103-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS GOT1, RNASE1, SLC10A1 NR1I2 1347/4885KDM4E 4110/4885HTT 1456/4885
US-20140235704-A1 THIOPHENE COMPOUNDS NAMPT, NAPRT, SLC29A1 NR1I2 1855/4885KDM4E 2874/4885HTT 381/4885
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, YBX1, HAX1 NR1I2 441/4885KDM4E 2984/4885HTT 2328/4885

“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.