SCHEMBL6436381

SCHEMBL6436381

O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc2c(Cl)cnc(Cl)c2c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.75
ALDH1A1 P00352 3/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 2/20 0.51
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RECQL P46063 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7379081 1.00 PLAU (0.75) PLAUALDH1A1HTTTSHRKDM4E
SCHEMBL6434427 0.97 PLAU (0.74) PLAUALDH1A1HTTTSHRKDM4E
SCHEMBL7375712 0.84 PLAU (0.71) PLAUALDH1A1HTTTSHRKDM4E
SCHEMBL6434405 0.84 PLAU (0.71) PLAUALDH1A1HTTTSHRKDM4E
Hydrochloric Acid SCHEMBL6435890 0.83 PLAU (0.70) PLAUALDH1A1HTTTSHRKDM4E
SCHEMBL6437779 0.82 PLAU (0.57) PLAUTSHRRECQLMEN1KMT2A
SCHEMBL6433727 0.82 PLAU (0.57) PLAUTSHRRECQLMEN1KMT2A
SCHEMBL6434295 0.81 PLAU (0.70) PLAUTSHRKDM4EHSD17B10RECQL
SCHEMBL6433224 0.80 PLAU (0.75) PLAUTSHRRECQL
Hydrochloric Acid SCHEMBL6434259 0.80 PLAU (0.69) PLAUTSHRKDM4EHSD17B10RECQL

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 PLAU 119/4885ALDH1A1 2641/4885HTT 3828/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 PLAU 119/4885ALDH1A1 2641/4885HTT 3828/4885

“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.