SCHEMBL6437192

SCHEMBL6437192

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.49
PLAU P00749 6/20 0.44
MMP13 P45452 2/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
HPN P05981 1/20 0.39
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.37
ADAM17 P78536 1/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36

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
Hydrochloric Acid SCHEMBL6437190 0.99 CASP3 (0.48) CASP3PLAUMMP13MMP1MMP9
SCHEMBL6434561 0.91 PLAU (0.55) CASP3PLAUHCRTR1HCRTR2RECQL
SCHEMBL6435378 0.91 PLAU (0.55) CASP3PLAUHCRTR1HCRTR2RECQL
SCHEMBL6977697 0.89 PLAU (0.55) CASP3PLAUHCRTR1HCRTR2RECQL
SCHEMBL7450920 0.87 PLAU (0.57) PLAUMMP9HPNHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL6433329 0.86 PLAU (0.56) PLAUMMP9HPNHCRTR1HCRTR2
SCHEMBL6438651 0.86 CASP3 (0.51) CASP3PLAUHPNHCRTR1HCRTR2
SCHEMBL6433713 0.84 CASP3 (0.54) CASP3PLAUHCRTR1HCRTR2JAK2
SCHEMBL6437421 0.78 PLAU (0.70) PLAUHCRTR1HCRTR2ALDH1A1RECQL
SCHEMBL6434295 0.77 PLAU (0.70) PLAUHCRTR1HCRTR2SMN1; SMN2RECQL

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 6 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-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 119/4885MMP13 10/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 CASP3 866/4885PLAU 119/4885MMP13 10/4885

“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.