SCHEMBL5470321

SCHEMBL5470321

COC(=O)c1cc(C=C2SC(=O)N(Cc3cc(C)cc(C)c3)C2=O)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.56
▸ ACP1 P24666 2/20 0.56
▸ BAG3 O95817 1/20 0.53
▸ PTPN22 Q9Y2R2 4/20 0.52
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ ENPP2 Q13822 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ AKR1B1 P15121 2/20 0.48
▸ PPARG P37231 1/20 0.48

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
SCHEMBL5470315 1.00 PTPN1 (0.56) PTPN1ACP1BAG3PTPN22MEN1
SCHEMBL5462250 0.89 PTPN1 (0.58) PTPN1ACP1BAG3PTPN22MEN1
SCHEMBL5462248 0.89 PTPN1 (0.58) PTPN1ACP1BAG3PTPN22MEN1
SCHEMBL5461246 0.89 PTPN1 (0.59) PTPN1ACP1BAG3PTPN22MEN1
SCHEMBL5461249 0.89 PTPN1 (0.59) PTPN1ACP1BAG3PTPN22MEN1
SCHEMBL5465772 0.83 NPSR1 (0.59) PTPN1ACP1PTPN22MEN1KMT2A
SCHEMBL5465776 0.83 NPSR1 (0.59) PTPN1ACP1PTPN22MEN1KMT2A
SCHEMBL5454705 0.82 PTPN1 (0.61) PTPN1ACP1MEN1KMT2AMAPT
SCHEMBL5454709 0.82 PTPN1 (0.61) PTPN1ACP1MEN1KMT2AMAPT
SCHEMBL5462792 0.82 PTPN1 (0.70) PTPN1ACP1ENPP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 — — US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 — — EP 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 (1 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 PTPN1 3264/4885ACP1 254/4885BAG3 4142/4885

“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.

Send feedback