SCHEMBL6859545

SCHEMBL6859545

O=S(=O)(CCCOCc1ccccc1)CCCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MGLL Q99685 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TEAD3 Q99594 1/20 0.41
NAAA Q02083 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL1002697 0.85 CA2 (0.52) TSHRCA2CA1CA9L3MBTL1
SCHEMBL7195587 0.85 TSHR (0.48) TSHRCA2CA1CA9L3MBTL1
SCHEMBL2086018 0.85 TSHR (0.48) TSHRCA2CA1CA9L3MBTL1
SCHEMBL29990163 0.85 TSHR (0.48) TSHRCA2CA1CA9L3MBTL1
SCHEMBL16782118 0.84 TSHR (0.47) TSHRCA2CA1CA9L3MBTL1
SCHEMBL16782117 0.84 TSHR (0.47) TSHRCA2CA1CA9L3MBTL1
SCHEMBL16782126 0.84 TSHR (0.47) TSHRCA2CA1CA9L3MBTL1
SCHEMBL12077051 0.82 TSHR (0.45) TSHRCA2CA1CA9L3MBTL1
SCHEMBL7399184 0.81 TSHR (0.44) TSHRCA2CA1CA9L3MBTL1
SCHEMBL2640223 0.81 TSHR (0.70) TSHRL3MBTL1TDP1HRH4HRH3

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-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 TSHR 1481/4885CA2 120/4885CA1 517/4885

“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.