SCHEMBL10172848

SCHEMBL10172848

O=C(OCCCCS(=O)(=O)O)c1ccccc1O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.71
▸ TSHR P16473 5/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ LMNA P02545 3/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
Sulprosal SCHEMBL2109181 0.95 TDP1 (0.73) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL10172877 0.89 TDP1 (0.67) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL9765812 0.87 TDP1 (0.92) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL29408707 0.85 TDP1 (0.89) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL15397549 0.85 TDP1 (0.89) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL13310425 0.85 TSHR (0.55) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL12083356 0.84 TDP1 (1.00) TDP1TSHRTP53CYP3A4MAPK1
Ammonia Solution, Strong SCHEMBL11053275 0.82 TDP1 (0.96) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL13310431 0.81 HRH3 (0.55) TDP1TSHRTP53CYP3A4MAPK1
SCHEMBL28067202 0.81 TDP1 (0.80) TDP1TSHRTP53CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 — — US disclosed
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 — — US disclosed
US-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND JSR CORPORATION (JP) 2012-06-28 — — 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-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND RAD51, RER1, ATP6AP1 TDP1 3626/4885TSHR 1556/4885TP53 2642/4885

“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.

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