SCHEMBL5469982

SCHEMBL5469982

O=C(O)c1cc(/C=C2\SC(=O)N(CCc3ccc(Cl)cc3)C2=O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.55
▸ PTPN1 P18031 5/20 0.54
▸ ACP1 P24666 5/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PTPN22 Q9Y2R2 3/20 0.50
▸ HTT P42858 1/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ S1PR3 Q99500 1/20 0.50
▸ MITF O75030 1/20 0.49
▸ NPC1 O15118 1/20 0.49

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
SCHEMBL5465180 1.00 CA9 (0.55) CA9PTPN1ACP1CTDSP1TDP1
SCHEMBL5463862 0.86 KDM4E (0.51) CA9PTPN1ACP1ALDH1A1LMNA
SCHEMBL5463865 0.86 KDM4E (0.51) CA9PTPN1ACP1ALDH1A1LMNA
SCHEMBL5463879 0.83 PTPN1 (0.60) CA9PTPN1ACP1TDP1ALDH1A1
SCHEMBL5463880 0.83 PTPN1 (0.60) CA9PTPN1ACP1TDP1ALDH1A1
SCHEMBL5460437 0.82 PTPN1 (0.60) PTPN1ACP1TDP1ALDH1A1MAPT
SCHEMBL5460435 0.82 PTPN1 (0.60) PTPN1ACP1TDP1ALDH1A1MAPT
SCHEMBL5462130 0.81 PTPN1 (0.52) CA9PTPN1ACP1CTDSP1TDP1
SCHEMBL5462129 0.81 PTPN1 (0.52) CA9PTPN1ACP1CTDSP1TDP1
SCHEMBL5462986 0.80 PTPN1 (0.65) PTPN1ACP1MEN1POLBKMT2A

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 CA9 1941/4885PTPN1 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