SCHEMBL12901143

SCHEMBL12901143

O=C1/C(=C/Nc2ccccc2)S(=O)(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
GPR3 P46089 1/20 0.42
CHEK1 O14757 2/20 0.41
MAOA P21397 3/20 0.40
ALDH1A1 P00352 2/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL15695018 0.75 ESR1 (0.77) ESR1ESR2KDM4EMAPTGPR3
SCHEMBL3483852 0.75 ESR1 (0.77) ESR1ESR2KDM4EMAPTGPR3
SCHEMBL15592583 0.74 ESR1 (0.57) ESR1ESR2GPR3CHEK1MAOA
SCHEMBL29368441 0.70 GPR3 (0.75) ESR1ESR2GPR3CHEK1MAOA
SCHEMBL31472931 0.70 GPR3 (0.75) ESR1ESR2GPR3CHEK1MAOA
SCHEMBL472539 0.70 GPR3 (0.75) ESR1ESR2GPR3CHEK1MAOA
SCHEMBL12955756 0.70 ESR1 (0.53) ESR1ESR2GPR3CHEK1MAOA
SCHEMBL10633969 0.70 ALDH1A1 (0.55) KDM4EMAPTMAOAALDH1A1TDP1
SCHEMBL12935854 0.69 ESR1 (0.55) ESR1ESR2GPR3CHEK1MAOA
SCHEMBL12081669 0.67 ESR1 (0.68) ESR1ESR2GPR3CHEK1MAOA

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-8835632-B2 Methods to increase the photostability of dyes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-16 US disclosed
US-8835632-B2 Methods to increase the photostability of dyes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-09-16 US disclosed
US-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-24 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-20110046000-A1 METHODS TO INCREASE THE PHOTOSTABILITY OF DYES PTMS, ACP1, SNRPE ESR1 3063/4885ESR2 3815/4885KDM4E 3420/4885

“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.