SCHEMBL3562415

SCHEMBL3562415

COC(=O)c1cscc1NC(=O)COc1ccc(C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.59
LMNA P02545 4/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPK10 P53779 2/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HIF1A Q16665 3/20 0.52
TRPV1 Q8NER1 2/20 0.50
MDH1 P40925 2/20 0.48
MDH2 P40926 2/20 0.48
GAA P10253 1/20 0.48
EPAS1 Q99814 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3556730 0.89 HCAR2 (0.70) HCAR2LMNAMAPTALDH1A1HIF1A
SCHEMBL3552433 0.85 ALDH1A1 (0.54) HCAR2LMNAMAPTALDH1A1MAPK10
SCHEMBL3554671 0.83 ALDH1A1 (0.62) HCAR2LMNAMAPTALDH1A1MAPK10
SCHEMBL3557253 0.83 ALDH1A1 (0.57) LMNAMAPTALDH1A1MAPK10TSHR
SCHEMBL3552451 0.82 ALDH1A1 (0.51) MAPTALDH1A1MAPK10TSHRHSD17B10
SCHEMBL3552623 0.81 TSHR (0.53) HCAR2LMNAMAPTALDH1A1MAPK10
SCHEMBL3556557 0.81 TP53 (0.55) LMNAMAPTALDH1A1MAPK10TSHR
SCHEMBL3552717 0.80 MAPT (0.48) MAPTALDH1A1MAPK10TSHRHSD17B10
SCHEMBL3559758 0.80 GAA (0.53) LMNAMAPTALDH1A1MAPK10TSHR
SCHEMBL420665 0.79 HCAR2 (0.60) HCAR2LMNAMAPTTDP1ALDH1A1

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 3 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 disclosed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 US 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 HCAR2 121/4885LMNA 4064/4885MAPT 4815/4885
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 HCAR2 121/4885LMNA 4064/4885MAPT 4815/4885

“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.