SCHEMBL4606087

SCHEMBL4606087

O=C1CC(CC2c3ccccc3-c3ccc(S(=O)(=O)O)cc32)C(=O)N1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 1/20 0.32
MT-CO2 P00403 1/20 0.31
ALOX5 P09917 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP12 P39900 2/20 0.31
MMP14 P50281 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30

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 0.86 TSHR (0.40) TSHRMT-CO2ALOX5CA1CA2
SCHEMBL1935691 0.82 CA1 (0.36) HRH3TSHRMMP2MMP9MMP12
SCHEMBL3491073 0.80 FABP5 (0.39) TSHRCA1CA2KMT2A
SCHEMBL4606085 0.80 TSHR (0.32) TSHRMMP2MMP9MMP12MMP14
SCHEMBL2678512 0.78 HRH3 (0.42) HRH3TSHRMMP2MMP9MMP12
SCHEMBL29178041 0.71 CA1 (0.39) HRH3TSHRCA1CA2KMT2A
SCHEMBL3490351 0.69 EPHX2 (0.36) CA1CA2KMT2A
SCHEMBL27711769 0.68 HRH3 (0.42) HRH3TSHRCA1CA2CA12
SCHEMBL5634656 0.68 CA1 (0.44) HRH3CA1CA2KMT2A
SCHEMBL135438 0.68 CA1 (0.44) HRH3CA1CA2KMT2A

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 HRH3 964/4885TSHR 2729/4885MT-CO2 1940/4885

“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.