Sugi Predict

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SCHEMBL2541850

SCHEMBL2541850

COC(=O)[C@H]1CC[C@H](C(=O)c2ccc(F)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CPS1 P31327 3/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.41
▸ ACKR3 P25106 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ HTR1F P30939 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL2541855 1.00 L3MBTL1 (0.54) L3MBTL1CPS1MEN1KMT2ACES2
SCHEMBL2542874 0.88 ALDH1A1 (0.49) L3MBTL1MEN1KMT2ACES2CES1
SCHEMBL2542875 0.88 ALDH1A1 (0.49) L3MBTL1MEN1KMT2ACES2CES1
SCHEMBL6141006 0.87 L3MBTL1 (0.61) L3MBTL1CPS1MEN1KMT2ACES2
SCHEMBL2539283 0.83 L3MBTL1 (0.49) L3MBTL1CPS1CES2CES1NPC1
SCHEMBL2539279 0.83 L3MBTL1 (0.49) L3MBTL1CPS1CES2CES1NPC1
SCHEMBL2539280 0.83 L3MBTL1 (0.49) L3MBTL1CPS1CES2CES1NPC1
SCHEMBL2539276 0.83 L3MBTL1 (0.49) L3MBTL1CPS1CES2CES1NPC1
SCHEMBL2166124 0.82 GAA (0.45) L3MBTL1CPS1MEN1KMT2ACES2
SCHEMBL2538030 0.82 GAA (0.45) L3MBTL1CPS1MEN1KMT2ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571879-B1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2015-10-21 — — EP disclosed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
EP-2571879-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 — — EP disclosed
WO-2011134877-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 — — WO disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 — — US disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 — — US disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 — — 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 (1 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-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1B, AVPR1A, AVPR2 L3MBTL1 4016/4885CPS1 3533/4885MEN1 1623/4885

“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.