SCHEMBL10172839

SCHEMBL10172839

O=C(OCCCS(=O)(=O)O)c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
ESR1 P03372 2/20 0.48
ESR2 Q92731 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
TYR P14679 1/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 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
SCHEMBL11020137 0.86 TDP1 (0.63) RAB9ANPC1ESR1ESR2TDP1
SCHEMBL10172840 0.84 CA12 (0.51) ESR1TDP1CA12CA1CA2
SCHEMBL10172828 0.83 TDP1 (0.70) RAB9ANPC1ESR1ESR2TDP1
SCHEMBL7773822 0.82 RAB9A (0.61) RAB9ANPC1ESR1ESR2TDP1
SCHEMBL10172838 0.81 ESR1 (0.63) RAB9ANPC1ESR1ESR2TDP1
SCHEMBL10067103 0.81 HRH3 (0.56) RAB9ANPC1TDP1ADRB2ADRB1
SCHEMBL160420 0.80 ESR1 (0.66) RAB9ANPC1ESR1TDP1MAPK1
SCHEMBL7163991 0.80 ESR1 (0.55) RAB9ANPC1ESR1ESR2TDP1
SCHEMBL4473542 0.79 ESR1 (0.59) RAB9ANPC1ESR1TDP1MAPK1
SCHEMBL29709386 0.79 ESR1 (0.59) RAB9ANPC1ESR1TDP1MAPK1

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 RAB9A 166/4885NPC1 2943/4885ESR1 282/4885

“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.