Sugi Predict

Sugi Predict / Compounds / SCHEMBL8008656

SCHEMBL8008656

SCHEMBL8008656

CCOC(=O)c1cc(C(=O)N2CC[C@@H](O)C2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ LOXL2 Q9Y4K0 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ FDFT1 P37268 1/20 0.41
▸ CCNC P24863 2/20 0.40
▸ CDK8 P49336 2/20 0.40
▸ CDK19 Q9BWU1 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ TSHR P16473 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
SCHEMBL1495464 0.91 TDP1 (0.41) TDP1THRBFDFT1ALDH1A1
SCHEMBL1495764 0.85 DHODH (0.46) HRH3RAB9ALOXL2CCNCCDK8
SCHEMBL1495765 0.85 DHODH (0.46) HRH3RAB9ALOXL2CCNCCDK8
SCHEMBL1495531 0.83 RAB9A (0.51) HRH3RAB9ASMN1; SMN2NPC1TP53
SCHEMBL16351844 0.79 CA12 (0.55) LMNAKMT2A
SCHEMBL16351850 0.79 CA12 (0.55) LMNAKMT2A
SCHEMBL12121182 0.76 KMT2A (0.62) HPGDALDH1A1LMNAKMT2A
SCHEMBL13486885 0.76 KMT2A (0.62) HPGDALDH1A1LMNAKMT2A
SCHEMBL10195732 0.76 KMT2A (0.62) HPGDALDH1A1LMNAKMT2A
SCHEMBL8009528 0.76 TDP1 (0.38) TDP1RAB9ASMN1; SMN2NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 — — US disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 — — US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 — — US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 — — US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 — — US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 — — US disclosed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 — — 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-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B TDP1 1775/4885HRH3 108/4885RAB9A 1588/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B TDP1 1775/4885HRH3 108/4885RAB9A 1588/4885

“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.