SCHEMBL10172840

SCHEMBL10172840

O=C(OCCCS(=O)(=O)O)c1cc(O)cc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
SERPINE1 P05121 2/20 0.50
ESR1 P03372 10/20 0.45
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 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
SCHEMBL10172839 0.84 RAB9A (0.49) CA12CA1CA2CA9SERPINE1
SCHEMBL10172838 0.83 ESR1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL4419075 0.82 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8944249 0.82 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL3651916 0.80 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL18998975 0.79 SERPINE1 (0.46) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL10172868 0.79 ESR1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL10172828 0.78 TDP1 (0.70) ESR1TSHRLMNAMAPK1SMN1; SMN2
SCHEMBL28588190 0.78 ESR1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL22660351 0.77 CA12 (0.56) CA12CA1CA2CA7CA9

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 CA12 921/4885CA1 66/4885CA2 123/4885

“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.