SCHEMBL19084924

SCHEMBL19084924

Fc1ccc(-c2ccc(-c3nc4cc(Br)ccc4o3)cc2C(F)(F)F)cn1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.61
S1PR3 Q99500 12/20 0.48
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL19084929 0.85 S1PR1 (0.69) S1PR1S1PR3
SCHEMBL19076274 0.84 NPC1 (0.46) S1PR1ESR1ESR2
SCHEMBL19084906 0.81 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL20615396 0.76 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL14243226 0.73 HDAC6 (0.63) ESR1ESR2
SCHEMBL19076254 0.73 SMN1; SMN2 (0.57) S1PR1ESR1ESR2
SCHEMBL25625041 0.71 HDAC6 (0.55) ESR1ESR2
SCHEMBL10173054 0.71 HDAC6 (0.64) ESR1ESR2
SCHEMBL2949797 0.70 KDM4E (0.65) S1PR1S1PR3
SCHEMBL2947283 0.70 S1PR1 (0.68) S1PR1S1PR3

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-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 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 (2 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-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 S1PR1 1435/4885S1PR3 1147/4885ESR1 4792/4885
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 S1PR1 1435/4885S1PR3 1147/4885ESR1 4792/4885

“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.