SCHEMBL20186967

SCHEMBL20186967

CCOc1cc(NS(=O)(=O)Cc2ccc(C)cc2)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.45
IDH1 O75874 1/20 0.42
CYP17A1 P05093 2/20 0.41
SLC22A12 Q96S37 1/20 0.40
BRD4 O60885 1/20 0.40
P2RY12 Q9H244 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
STK4 Q13043 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
PGR P06401 1/20 0.38
SGK1 O00141 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PLA2G7 Q13093 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
SCHEMBL20186975 0.88 IMPDH2 (0.48) IMPDH2IDH1CYP17A1SLC22A12PGR
SCHEMBL20186969 0.83 IMPDH2 (0.48) IMPDH2SLC22A12P2RY12CYP3A4CYP2C9
SCHEMBL20186964 0.83 IMPDH2 (0.50) IMPDH2SLC22A12PGR
SCHEMBL20186979 0.81 IMPDH2 (0.48) IMPDH2SLC22A12PGR
SCHEMBL20187005 0.81 SLC22A12 (0.54) IMPDH2SLC22A12BRD4LMNAPLA2G7
SCHEMBL20186993 0.80 IMPDH2 (0.46) IMPDH2SLC22A12BRD4P2RY12CYP3A4
SCHEMBL31284484 0.78 IMPDH2 (0.46) IMPDH2SLC22A12P2RY12CYP3A4CYP2C9
SCHEMBL20186980 0.78 SLC22A12 (0.54) IMPDH2SLC22A12PGRPLA2G7
SCHEMBL20187004 0.78 IMPDH2 (0.46) IMPDH2SLC22A12P2RY12CYP3A4CYP2C9
SCHEMBL1776690 0.73 AR (0.57) SLC22A12TRPV4

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 2394/4885IDH1 3753/4885CYP17A1 1066/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 IMPDH2 2394/4885IDH1 3753/4885CYP17A1 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.