SCHEMBL4940465

SCHEMBL4940465

CCOC(=O)c1ccc2cc(SC(=O)N(C)C)ccc2c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
GAA P10253 3/20 0.37
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
MAOB P27338 2/20 0.37
GLA P06280 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA1 P00915 1/20 0.37
CDC25B P30305 1/20 0.37
TSHR P16473 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 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
SCHEMBL4953550 0.95 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGAACA12
SCHEMBL4943600 0.79 CA12 (0.57) ALDH1A1KDM4EHPGDGAACA12
SCHEMBL4947607 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDGAACA12
SCHEMBL11030723 0.74 CDC25B (0.58) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL5962922 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL10653631 0.72 MAOB (0.65) ALDH1A1KDM4EHPGDGAACA12
SCHEMBL10648016 0.71 KDM4E (0.46) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL10684182 0.69 AKR1B1 (0.63) ALDH1A1KDM4EGAAMAOBMAPT
SCHEMBL30772981 0.69 ALDH1A1 (0.54) ALDH1A1GAAMAPTHSD17B10
SCHEMBL4455438 0.69 ALDH1A1 (0.54) ALDH1A1GAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549598-A4 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) CORTICAL PTY LTD (AU) 2008-01-23 EP claimed
US-20060106102-A1 Napththalene derivatives which inhibit the cytokine or biological activity of microphage migration inhibitory factor (mif) Morand, Eric 2006-05-18 US claimed
EP-1549598-A1 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) Cortical Pty Ltd (AU) 2005-07-06 EP claimed
WO-2003104178-A1 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) CORTICAL PTY LTD (AU) 2003-12-18 WO claimed
EP-1549598-A4 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) CORTICAL PTY LTD (AU) 2008-01-23 EP disclosed
US-20060106102-A1 Napththalene derivatives which inhibit the cytokine or biological activity of microphage migration inhibitory factor (mif) Morand, Eric 2006-05-18 US disclosed
EP-1549598-A1 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) Cortical Pty Ltd (AU) 2005-07-06 EP disclosed
WO-2003104178-A1 NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) CORTICAL PTY LTD (AU) 2003-12-18 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 (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-20060106102-A1 Napththalene derivatives which inhibit the cytokine or biological activity of microphage migration inhibitory factor (mif) MIF, ARG1, MSR1 ALDH1A1 1551/4885KDM4E 3166/4885HPGD 911/4885

“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.