SCHEMBL102282

SCHEMBL102282

COC(=O)c1sc(Br)cc1NC1CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAF1 P04049 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
YAP1 P46937 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
PPARG P37231 1/20 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
SCHEMBL18644291 0.87 ALDH1A1 (0.37) ALDH1A1POLBKDM4EHTTATM
SCHEMBL12444721 0.86 ALDH1A1 (0.36) ALDH1A1POLBKDM4EHTTATM
SCHEMBL9965180 0.84 RAF1 (0.46) RAF1
SCHEMBL2878501 0.82 ALDH1A1 (0.33) ALDH1A1POLBKDM4ECYP3A4CYP2C19
SCHEMBL2878862 0.81 KDM4E (0.57) ALDH1A1POLBKDM4EHTTATM
SCHEMBL669322 0.80 ALDH1A1 (0.33) ALDH1A1POLBKDM4EHTTATM
SCHEMBL2107515 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EHTTATMKMT2A
SCHEMBL101584 0.79 SMN1; SMN2 (0.49) ALDH1A1KDM4EHTTMAPK1KMT2A
SCHEMBL2620471 0.75 RAF1 (0.35) ALDH1A1KDM4EHTTATMKMT2A
SCHEMBL22452921 0.73 KDM4E (0.48) ALDH1A1POLBKDM4EHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2559691-A1 Thiophene analogues for the treatment or prevention of Flavivirus infections Virochem Pharma Inc. (CA) 2013-02-20 EP claimed
EP-2559692-A1 Thiophene analogues for the treatment or prevention of Flavivirus infections Virochem Pharma Inc. (CA) 2013-02-20 EP claimed
US-8269014-B2 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-09-18 US claimed
US-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals ( Canada) Incorporated (CA) 2012-03-08 US claimed
EP-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP claimed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP claimed
US-8829030-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2014-09-09 US disclosed
US-8829030-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2014-09-09 US disclosed
US-8829030-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2014-09-09 US disclosed
US-20140235705-A1 FORMULATIONS OF 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-20140235703-A1 THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20140235703-A1 THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-21 US disclosed
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 US disclosed
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 US disclosed
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 US disclosed
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 US disclosed
WO-2008058393-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2008-05-22 WO 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
US-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2005-01-13 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 (7 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-20050009804-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX ALDH1A1 1591/4885POLB 3431/4885KDM4E 1505/4885
US-20120059170-A1 THIOPHENE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS TTR, ZC3HAV1, IRF3 ALDH1A1 1543/4885POLB 3559/4885KDM4E 1474/4885
US-20140235705-A1 FORMULATIONS OF THIOPHENE COMPOUNDS TPMT, NAT1, TST ALDH1A1 224/4885POLB 1371/4885KDM4E 3280/4885
US-20140235703-A1 THIOPHENE COMPOUNDS MAP3K1, MAPK1, PEAK1 ALDH1A1 1224/4885POLB 1552/4885KDM4E 551/4885
US-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX ALDH1A1 1591/4885POLB 3431/4885KDM4E 1505/4885
US-20140235704-A1 THIOPHENE COMPOUNDS NAMPT, NAPRT, SLC29A1 ALDH1A1 615/4885POLB 2261/4885KDM4E 2874/4885
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, YBX1, HAX1 ALDH1A1 693/4885POLB 2826/4885KDM4E 2984/4885

“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.