SCHEMBL20186985

SCHEMBL20186985

Cc1ccc(CS(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.48
CYP3A4 P08684 2/20 0.48
CES2 O00748 1/20 0.48
ABCB11 O95342 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
TBXA2R P21731 1/20 0.48
AADAC P22760 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.48
HTT P42858 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL20186961 0.81 FFAR4 (0.67) ARFFAR4RORC
SCHEMBL15724709 0.79 MAPK1 (0.59) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL20186980 0.78 SLC22A12 (0.54) ARABCB11CYP2C19PGRFFAR4
SCHEMBL20186970 0.77 AR (0.40) ARALDH1A1LMNAMAPK1HTT
SCHEMBL20186977 0.76 NPC1 (0.49) ARALDH1A1LMNAHTTFFAR4
SCHEMBL20186974 0.76 KMT2A (0.43) ARALDH1A1LMNAHTTPGR
SCHEMBL1614384 0.75 FFAR4 (0.57) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL20186990 0.74 RORC (0.51) ARCYP2C19FFAR4RORC
SCHEMBL13994732 0.73 AR (0.71) ARCYP3A4PGR
SCHEMBL6119720 0.73 CYP3A4 (0.60) ARCYP3A4CES2ABCB11ALDH1A1

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 AR 1334/4885CYP3A4 3618/4885CES2 1537/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 AR 1334/4885CYP3A4 3618/4885CES2 1537/4885

“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.