SCHEMBL6434401

SCHEMBL6434401

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.42
TAS1R1 Q7RTX1 9/20 0.42
TDP1 Q9NUW8 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 7/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 2/20 0.38
XBP1 P17861 1/20 0.38
CNR2 P34972 1/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 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
SCHEMBL7391218 0.91 ROCK2 (0.34) TAS1R3TAS1R1TDP1NPSR1POLB
SCHEMBL6432699 0.90 GRN (0.38) TAS1R3TAS1R1
SCHEMBL6437334 0.88 ROCK2 (0.49) TDP1NPSR1POLBMAPTKMT2A
SCHEMBL6432917 0.87 TAS1R3 (0.37) TAS1R3TAS1R1
Trifluoroacetic Acid SCHEMBL7372438 0.85 GRN (0.45) TAS1R3TAS1R1
SCHEMBL6437619 0.81 PTPRC (0.42) MAPTKMT2AMEN1KDM4E
SCHEMBL6433230 0.79 ROCK2 (0.41)
SCHEMBL7370207 0.78 CASP3 (0.46) KDM4E
Trifluoroacetic Acid SCHEMBL7368235 0.77 CA2 (0.40)
Trifluoroacetic Acid SCHEMBL7377943 0.76 TMPRSS15 (0.44)

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 8 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
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
US-6093731-A Isoquinolines PFIZER INC. 2000-07-25 US disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 TAS1R3 3747/4885TAS1R1 3148/4885TDP1 637/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 TAS1R3 3747/4885TAS1R1 3148/4885TDP1 637/4885

“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.