SCHEMBL6433713

SCHEMBL6433713

CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(Br)cnc(Cl)c2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.54
PLAU P00749 5/20 0.47
TSHR P16473 4/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 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
SCHEMBL6437779 0.91 PLAU (0.57) CASP3PLAUTSHRRECQLKMT2A
SCHEMBL6433727 0.91 PLAU (0.57) CASP3PLAUTSHRRECQLKMT2A
SCHEMBL6437192 0.84 CASP3 (0.49) CASP3PLAUTSHRALDH1A1RECQL
Hydrochloric Acid SCHEMBL6437190 0.83 CASP3 (0.48) CASP3PLAUTSHRALDH1A1RECQL
SCHEMBL16129184 0.78 CASP3 (0.62) CASP3ALDH1A1HTTKMT2AMEN1
SCHEMBL16014994 0.78 CASP3 (0.62) CASP3ALDH1A1HTTKMT2AMEN1
SCHEMBL16014995 0.78 CASP3 (0.62) CASP3ALDH1A1HTTKMT2AMEN1
SCHEMBL6434561 0.77 PLAU (0.55) CASP3PLAUTSHRRECQLLMNA
SCHEMBL6435378 0.77 PLAU (0.55) CASP3PLAUTSHRRECQLLMNA
SCHEMBL6434472 0.76 PLAU (0.43) CASP3PLAU

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 CASP3 866/4885PLAU 119/4885TSHR 4346/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 CASP3 866/4885PLAU 119/4885TSHR 4346/4885

“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.