Sugi Predict

Sugi Predict / Compounds / SCHEMBL433225

SCHEMBL433225

SCHEMBL433225

CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.51
▸ PDE5A O76074 1/20 0.43
▸ NR1H2 P55055 7/20 0.41
▸ NR1H3 Q13133 5/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ MAOB P27338 2/20 0.40
▸ MAOA P21397 1/20 0.39
▸ RXRA P19793 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37

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
SCHEMBL10280117 1.00 RIPK1 (0.51) RIPK1PDE5ANR1H2NR1H3DPP4
SCHEMBL430761 1.00 RIPK1 (0.51) RIPK1PDE5ANR1H2NR1H3DPP4
SCHEMBL29744513 1.00 RIPK1 (0.51) RIPK1PDE5ANR1H2NR1H3DPP4
SCHEMBL445277 1.00 RIPK1 (0.51) RIPK1PDE5ANR1H2NR1H3DPP4
SCHEMBL462071 0.88 RIPK1 (0.49) RIPK1PDE5ANR1H2NR1H3MAOB
SCHEMBL29429632 0.88 RIPK1 (0.51) RIPK1PDE5ANR1H2NR1H3MAOB
SCHEMBL433245 0.88 RIPK1 (0.51) RIPK1PDE5ANR1H2NR1H3MAOB
SCHEMBL448615 0.88 RIPK1 (0.51) RIPK1PDE5ANR1H2NR1H3MAOB
SCHEMBL430769 0.88 RIPK1 (0.51) RIPK1PDE5ANR1H2NR1H3MAOB
SCHEMBL448616 0.88 RIPK1 (0.51) RIPK1PDE5ANR1H2NR1H3MAOB

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
EP-2678338-B1 PYRAZOLO[1,5-A]PYRIDINES AS TRK INHIBITORS NOVARTIS AG (CH) 2015-09-09 — — EP disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 — — US disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 — — US disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 — — US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 — — US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 — — US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 — — US disclosed
US-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-12-12 — — US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 — — US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 — — 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-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS CNKSR1, BMP2K, RAF1 RIPK1 239/4885PDE5A 3732/4885NR1H2 252/4885
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K RIPK1 168/4885PDE5A 3864/4885NR1H2 399/4885

“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.