SCHEMBL20186981

SCHEMBL20186981

CCCc1cc(NS(=O)(=O)Cc2ccc(C)cc2)cc(C)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
FFAR4 Q5NUL3 1/20 0.36
IMPDH2 P12268 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BRD4 O60885 1/20 0.35
BCAT2 O15382 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RORC P51449 2/20 0.34
CYP11B2 P19099 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
HPGD P15428 1/20 0.33
BRPF1 P55201 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL20186960 0.92 POLB (0.41) POLBIMPDH2BCHEACHEBRD4
SCHEMBL20186999 0.88 POLB (0.45) POLBIMPDH2BCHEACHEKDM4E
SCHEMBL20186966 0.83 POLB (0.41) POLBIMPDH2BCHEACHEKDM4E
SCHEMBL20186993 0.82 IMPDH2 (0.46) IMPDH2BRD4ALDH1A1RORCHPGD
SCHEMBL20186987 0.78 POLB (0.38) POLBIMPDH2BCHEACHEKDM4E
SCHEMBL20186984 0.78 ALDH1A1 (0.50) IMPDH2KDM4EALDH1A1CYP11B2GPR119
SCHEMBL20186969 0.76 IMPDH2 (0.48) IMPDH2KDM4EALDH1A1RORCHPGD
SCHEMBL20186964 0.75 IMPDH2 (0.50) IMPDH2ALDH1A1RORCHPGDBRPF1
SCHEMBL20187000 0.74 ALDH1A1 (0.40) IMPDH2ALDH1A1RORCTSHR
SCHEMBL20186979 0.68 IMPDH2 (0.48) IMPDH2ALDH1A1RORCHPGDBRPF1

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 POLB 3901/4885FFAR4 47/4885IMPDH2 2394/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 POLB 3901/4885FFAR4 47/4885IMPDH2 2394/4885

“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.