SCHEMBL3555339

SCHEMBL3555339

O=C(COc1ccc(OC(F)(F)F)cc1)Nc1cscc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HCAR2 Q8TDS4 3/20 0.48
MCHR1 Q99705 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TSHR P16473 2/20 0.44
MAPK10 P53779 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 2/20 0.44
DHODH Q02127 1/20 0.44
PTPN1 P18031 1/20 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
SCHEMBL3559719 0.84 NPC1 (0.57) ALDH1A1KMT2AMEN1HCAR2TSHR
SCHEMBL3559960 0.83 NPC1 (0.51) ALDH1A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL3556730 0.83 HCAR2 (0.70) ALDH1A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL3561257 0.82 HCAR2 (0.56) ALDH1A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL3556228 0.81 LMNA (0.51) ALDH1A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL3556296 0.81 NPC1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2HCAR2
SCHEMBL3553298 0.81 PTPN1 (0.43) ALDH1A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL3558343 0.80 CETP (0.49) ALDH1A1KMT2AMEN1SMN1; SMN2HCAR2
SCHEMBL3556458 0.80 HCAR2 (0.50) ALDH1A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL3565134 0.79 KDM4E (0.58) ALDH1A1CYP1A2CYP2C19KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101268063-B Thiophene derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-02-29 CN claimed
US-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US claimed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP claimed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 US claimed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO claimed
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 US claimed
CN-101268063-B Thiophene derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-02-29 CN disclosed
US-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US disclosed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 US disclosed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072873-A1 Novel thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. 2007-03-29 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 (2 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-20070072873-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 ALDH1A1 1492/4885CYP1A2 649/4885CYP2C19 806/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 ALDH1A1 1492/4885CYP1A2 649/4885CYP2C19 806/4885

“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.