SCHEMBL20186975

SCHEMBL20186975

COc1cc(NS(=O)(=O)Cc2ccc(C)cc2)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.48
AR P10275 2/20 0.48
CYP17A1 P05093 2/20 0.47
IDH1 O75874 4/20 0.45
SLC22A12 Q96S37 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
PTK2B Q14289 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 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
SCHEMBL20186967 0.88 IMPDH2 (0.45) IMPDH2CYP17A1IDH1SLC22A12PGR
SCHEMBL20186964 0.85 IMPDH2 (0.50) IMPDH2ARSLC22A12ALDH1A1KMT2A
SCHEMBL20186969 0.82 IMPDH2 (0.48) IMPDH2SLC22A12ALDH1A1SMN1; SMN2PGR
SCHEMBL20186979 0.82 IMPDH2 (0.48) IMPDH2SLC22A12ALDH1A1KMT2AHDAC8
SCHEMBL20187005 0.82 SLC22A12 (0.54) IMPDH2SLC22A12ALDH1A1
SCHEMBL31284484 0.80 IMPDH2 (0.46) IMPDH2SLC22A12ALDH1A1HDAC8PGR
SCHEMBL20186980 0.80 SLC22A12 (0.54) IMPDH2ARSLC22A12PGR
SCHEMBL20186993 0.80 IMPDH2 (0.46) IMPDH2SLC22A12ALDH1A1SMN1; SMN2HDAC8
SCHEMBL20187004 0.80 IMPDH2 (0.46) IMPDH2SLC22A12ALDH1A1HDAC8PGR
SCHEMBL20186999 0.74 POLB (0.45) IMPDH2ALDH1A1MAPK1HDAC8

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 IMPDH2 2394/4885AR 1334/4885CYP17A1 1066/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 IMPDH2 2394/4885AR 1334/4885CYP17A1 1066/4885

“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.