SCHEMBL101584

SCHEMBL101584

COC(=O)c1sccc1NC1CCC2(CC1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MAPK10 P53779 2/20 0.46
PRNP P04156 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL4778018 0.83 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL2434458 0.82 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL15118765 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL18644291 0.80 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1KMT2ARXFP1NPSR1
SCHEMBL12444721 0.79 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1KMT2ANPSR1HTT
SCHEMBL102282 0.79 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1KMT2ANPSR1HTT
SCHEMBL4730428 0.79 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL22452921 0.78 KDM4E (0.48) SMN1; SMN2ALDH1A1KMT2ATSHRNPSR1
SCHEMBL1961677 0.77 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL9965180 0.77 RAF1 (0.46)

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 75 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
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-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-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-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2008-12-04 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
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
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 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 (6 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 SMN1; SMN2 1430/4885ALDH1A1 1543/4885MEN1 3348/4885
US-20140235705-A1 FORMULATIONS OF THIOPHENE COMPOUNDS TPMT, NAT1, TST SMN1; SMN2 1606/4885ALDH1A1 224/4885MEN1 3228/4885
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections TTR, ZC3HAV1, IRF3 SMN1; SMN2 1430/4885ALDH1A1 1543/4885MEN1 3348/4885
US-20140235703-A1 THIOPHENE COMPOUNDS MAP3K1, MAPK1, PEAK1 SMN1; SMN2 3421/4885ALDH1A1 1224/4885MEN1 882/4885
US-20140235704-A1 THIOPHENE COMPOUNDS NAMPT, NAPRT, SLC29A1 SMN1; SMN2 2957/4885ALDH1A1 615/4885MEN1 3047/4885
US-20060276533-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, YBX1, HAX1 SMN1; SMN2 471/4885ALDH1A1 693/4885MEN1 1088/4885

“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.