SCHEMBL20186990

SCHEMBL20186990

N#Cc1ccc(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.51
FFAR4 Q5NUL3 1/20 0.50
SLC22A12 Q96S37 1/20 0.50
PLA2G7 Q13093 1/20 0.50
AR P10275 10/20 0.47
CNR2 P34972 1/20 0.41
CYP2C19 P33261 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
SCHEMBL20187001 0.85 SLC22A12 (0.55) RORCSLC22A12ARCNR2CYP2C19
SCHEMBL20186995 0.84 SLC22A12 (0.54) RORCFFAR4SLC22A12PLA2G7AR
SCHEMBL20186971 0.84 SLC22A12 (0.54) RORCFFAR4SLC22A12ARCNR2
SCHEMBL20186980 0.84 SLC22A12 (0.54) RORCFFAR4SLC22A12PLA2G7AR
SCHEMBL2853583 0.75 VCAM1 (0.54) AR
SCHEMBL14285996 0.75 SLC22A12 (0.56) SLC22A12PLA2G7ARCNR2CYP2C19
SCHEMBL20186970 0.74 AR (0.40) RORCPLA2G7AR
SCHEMBL20186985 0.74 AR (0.48) RORCFFAR4ARCYP2C19
SCHEMBL28931208 0.73 KMT2A (0.63) RORC
SCHEMBL20186965 0.73 RORC (0.48) RORCSLC22A12

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-10905120-B2 ABA receptor agonists that modulate transpiration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-02 US disclosed
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-05-31 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-10905120-B2 ABA receptor agonists that modulate transpiration ADORA2A, ADORA1, AAK1 RORC 908/4885FFAR4 47/4885SLC22A12 930/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 RORC 908/4885FFAR4 47/4885SLC22A12 930/4885

“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.