SCHEMBL4606085

SCHEMBL4606085

O=C1CC(CC2c3ccccc3-c3cccc(S(=O)(=O)O)c32)C(=O)N1O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
MMP14 P50281 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL4605373 0.83 TSHR (0.40) TSHRCA1CA2
SCHEMBL3051880 0.82 CA1 (0.34) TSHRMMP2MMP9MMP12MMP14
SCHEMBL4478311 0.80 FABP5 (0.36) TSHRMMP2MMP9MMP12MMP14
SCHEMBL4606087 0.80 HRH3 (0.32) TSHRMMP2MMP9MMP12MMP14
SCHEMBL5140755 0.70 CA1 (0.37) CA1CA2
SCHEMBL6206197 0.67 TSHR (0.48) TSHR
SCHEMBL3165966 0.65 TTR (0.35) TSHRCA1CA2
SCHEMBL472820 0.65 TSHR (0.41) TSHRCA1CA2
SCHEMBL334888 0.65 TSHR (0.40) TSHR
SCHEMBL1279956 0.64 TSHR (0.40) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337270-B1 LONG-ACTING INTERFERON AND INTERLUKIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RES & DEV (IL) 2008-07-16 EP disclosed
EP-1337270-A4 LONG-ACTING CYTOKINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RES & DEV (IL) 2005-09-14 EP disclosed
US-20040131586-A1 Long-acting cytokine derivatives and pharmaceutical compositions comprising them YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-07-08 US disclosed
EP-1337270-A2 LONG-ACTING CYTOKINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) 2003-08-27 EP disclosed
WO-2002036067-A2 LONG-ACTING CYTOKINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2002-05-10 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-20040131586-A1 Long-acting cytokine derivatives and pharmaceutical compositions comprising them IL2, IFNG, CSF3R TSHR 2729/4885MMP2 764/4885MMP9 726/4885

“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.