SCHEMBL6440602

SCHEMBL6440602

COc1ccc(CN(CC(=O)O)S(=O)(=O)c2ccc3c(N(Cl)C(=N)N)cncc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.45
PLAU P00749 1/20 0.44
TAS2R14 Q9NYV8 11/20 0.43
MEP1B Q16820 1/20 0.42
ALDH1A1 P00352 3/20 0.42
DAGLA Q9Y4D2 1/20 0.42
PTGES O14684 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.41
CXCR3 P49682 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6433145 0.91 DAGLA (0.47) KEAP1PLAUTAS2R14MEP1BDAGLA
SCHEMBL7367639 0.90 ALDH1A1 (0.42) TAS2R14MEP1BALDH1A1PTGESTAS2R8
Hydrochloric Acid SCHEMBL6434570 0.88 PLAU (0.46) KEAP1PLAUALDH1A1DAGLA
Hydrochloric Acid SCHEMBL7366869 0.86 PLAU (0.41) KEAP1PLAUALDH1A1DAGLA
Trifluoroacetic Acid SCHEMBL6435141 0.85 PLAU (0.49) KEAP1PLAUALDH1A1DAGLA
Hydrochloric Acid SCHEMBL6437621 0.84 PLAU (0.46) PLAUALDH1A1DAGLA
SCHEMBL7049621 0.82 PLAU (0.42) PLAUTAS2R14ALDH1A1
SCHEMBL7379141 0.82 PLAU (0.44) KEAP1PLAUTAS2R14MEP1BALDH1A1
Trifluoroacetic Acid SCHEMBL6437830 0.81 KEAP1 (0.42) KEAP1PLAUTAS2R14ALDH1A1DAGLA
SCHEMBL7377717 0.81 PLAU (0.45) KEAP1PLAUALDH1A1CXCR3LMNA

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 KEAP1 2747/4885PLAU 119/4885TAS2R14 2998/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 KEAP1 2747/4885PLAU 119/4885TAS2R14 2998/4885

“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.