Sugi Predict

Sugi Predict / Compounds / SCHEMBL2807540

SCHEMBL2807540

SCHEMBL2807540

COC1CC(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ HTT P42858 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ BDKRB1 P46663 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ EPHX2 P34913 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ OPRL1 P41146 1/20 0.32

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
SCHEMBL13128471 0.88 CTDSP1 (0.39) POLBCTDSP1MAPTEPHX2CYP2C9
SCHEMBL186209 0.87 POLB (0.34) POLBCTDSP1GAAHTTALDH1A1
SCHEMBL13128461 0.86 CTDSP1 (0.36) POLBCTDSP1EPHX2CYP2C9OPRL1
SCHEMBL2806170 0.84 CTDSP1 (0.35) POLBCTDSP1HTTALDH1A1RECQL
SCHEMBL13128477 0.83 P2RX7 (0.47) CTDSP1ALDH1A1MEN1KMT2A
SCHEMBL2808619 0.83 CTDSP1 (0.35) POLBCTDSP1HTTMAPTRECQL
SCHEMBL2812345 0.82 POLB (0.43) POLBCTDSP1GAAHTTALDH1A1
SCHEMBL2808451 0.82 MEN1 (0.35) POLBCTDSP1MEN1KMT2ACYP1A2
SCHEMBL2808449 0.82 MEN1 (0.35) POLBCTDSP1MEN1KMT2ACYP1A2
SCHEMBL2808927 0.81 LMNA (0.39) POLBCTDSP1GAAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 — — US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — 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 (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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 POLB 3203/4885CTDSP1 4271/4885GAA 1561/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 POLB 3203/4885CTDSP1 4271/4885GAA 1561/4885

“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.