SCHEMBL6432699

SCHEMBL6432699

CC(C)(C)OC[C@H](NC(=O)c1ccc2c(N(Cl)C(=N)N)cncc2c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
ROCK2 O75116 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
BACE1 P56817 1/20 0.32
CYP17A1 P05093 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL7391218 0.91 ROCK2 (0.34) ROCK2TAS1R3TAS1R1CYP17A1CYP3A4
SCHEMBL6434401 0.90 TAS1R3 (0.42) TAS1R3TAS1R1
SCHEMBL6437334 0.88 ROCK2 (0.49) ROCK2
SCHEMBL6432917 0.85 TAS1R3 (0.37) ROCK2TAS1R3TAS1R1CYP17A1CYP3A4
SCHEMBL6437619 0.81 PTPRC (0.42)
SCHEMBL6433230 0.79 ROCK2 (0.41) ROCK2
SCHEMBL6433843 0.79 DGAT2 (0.41) CYP17A1CYP3A4
SCHEMBL7370207 0.78 CASP3 (0.46)
Trifluoroacetic Acid SCHEMBL7368235 0.77 CA2 (0.40)
Trifluoroacetic Acid SCHEMBL7372438 0.76 GRN (0.45) GRNSORT1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1077945-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER (US) 2003-01-08 EP disclosed
US-6093731-A Isoquinolines PFIZER INC. 2000-07-25 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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 GRN 87/4885SORT1 692/4885ROCK2 2546/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 GRN 87/4885SORT1 692/4885ROCK2 2546/4885

“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.