SCHEMBL6433807

SCHEMBL6433807

CC(C)(C)OC[C@H](NC(=O)c1ccc2c(Cl)cnc(Cl)c2c1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.46
SORT1 Q99523 2/20 0.46
ROCK2 O75116 2/20 0.38
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
MAPT P10636 5/20 0.35
NPSR1 Q6W5P4 4/20 0.35
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 2/20 0.35
ATM Q13315 1/20 0.34
MAPK3 P27361 1/20 0.34
MEN1 O00255 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL6433809 1.00 GRN (0.46) GRNSORT1ROCK2TAS1R3TAS1R1
SCHEMBL6434625 0.88 NPSR1 (0.48) GRNSORT1TAS1R3TAS1R1MAPT
SCHEMBL6437559 0.88 ROCK2 (0.38) GRNSORT1ROCK2TAS1R3TAS1R1
SCHEMBL6434626 0.88 NPSR1 (0.48) GRNSORT1TAS1R3TAS1R1MAPT
SCHEMBL6432702 0.86 GRN (0.41) GRNSORT1ROCK2TAS1R3TAS1R1
SCHEMBL6435282 0.85 ROCK2 (0.53) ROCK2MAPTNPSR1KDM4EKMT2A
SCHEMBL6435278 0.85 ROCK2 (0.53) ROCK2MAPTNPSR1KDM4EKMT2A
SCHEMBL6437307 0.84 MAPT (0.43) MAPTNPSR1KDM4EKMT2APOLB
SCHEMBL6435819 0.82 TAS1R3 (0.43) TAS1R3TAS1R1NPSR1MAPK1MAPK3
SCHEMBL6435824 0.82 TAS1R3 (0.43) TAS1R3TAS1R1NPSR1MAPK1MAPK3

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.