SCHEMBL3556566

SCHEMBL3556566

O=C(COc1cccc(-c2ccccc2)c1)Nc1cscc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.53
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
HCAR2 Q8TDS4 3/20 0.50
TSHR P16473 3/20 0.49
NPC1 O15118 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
DVL1 O14640 1/20 0.49

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
SCHEMBL3558904 0.89 HCAR2 (0.56) ALDH1A1KMT2AKDM4EL3MBTL1NPSR1
SCHEMBL3561257 0.89 HCAR2 (0.56) ALDH1A1KMT2AMEN1LMNACASP3
SCHEMBL3561252 0.86 NOTUM (0.55) SERPINE1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3552720 0.86 DVL1 (0.67) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL3561053 0.86 SMN1; SMN2 (0.52) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL3555635 0.85 SERPINE1 (0.52) SERPINE1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL418006 0.84 SERPINE1 (0.65) SERPINE1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL3554508 0.84 MAPT (0.53) ALDH1A1KMT2AKDM4EMEN1LMNA
SCHEMBL3557611 0.84 POLB (0.65) ALDH1A1KMT2AKDM4EMEN1L3MBTL1
SCHEMBL3555867 0.83 SMN1; SMN2 (0.52) ALDH1A1KMT2AKDM4EL3MBTL1LMNA

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-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
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 SERPINE1 3459/4885ALDH1A1 1492/4885KMT2A 1863/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 SERPINE1 3459/4885ALDH1A1 1492/4885KMT2A 1863/4885

“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.