SCHEMBL5461849

SCHEMBL5461849

COC(=O)c1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 4/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ ACP1 P24666 1/20 0.51
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ BAG3 O95817 1/20 0.47
▸ PPARG P37231 3/20 0.46
▸ MITF O75030 1/20 0.46
▸ DVL1 O14640 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ AKR1B1 P15121 2/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL5461851 1.00 PTPN22 (0.51) PTPN22PTPN1ACP1ESR1ESR2
SCHEMBL5470591 0.90 DVL1 (0.47) PTPN22PTPN1ACP1ALDH1A1KMT2A
SCHEMBL5470594 0.90 DVL1 (0.47) PTPN22PTPN1ACP1ALDH1A1KMT2A
SCHEMBL5462130 0.89 PTPN1 (0.52) PTPN22PTPN1ACP1ALDH1A1KMT2A
SCHEMBL5462129 0.89 PTPN1 (0.52) PTPN22PTPN1ACP1ALDH1A1KMT2A
SCHEMBL5461363 0.87 DVL1 (0.49) PTPN1ACP1ESR1ESR2ALDH1A1
SCHEMBL5461366 0.87 DVL1 (0.49) PTPN1ACP1ESR1ESR2ALDH1A1
SCHEMBL5454859 0.86 KMT2A (0.56) PTPN1ACP1ALDH1A1KMT2AKDM4E
SCHEMBL5454863 0.86 KMT2A (0.56) PTPN1ACP1ALDH1A1KMT2AKDM4E
SCHEMBL5462250 0.86 PTPN1 (0.58) PTPN22PTPN1ACP1ALDH1A1KMT2A

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 PTPN22 4097/4885PTPN1 3264/4885ACP1 254/4885

“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