SCHEMBL20186987

SCHEMBL20186987

Cc1ccc(CS(=O)(=O)Nc2cc(C)c(C#N)c(C3CC3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
IMPDH2 P12268 1/20 0.35
P2RY12 Q9H244 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
RORC P51449 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
GPR119 Q8TDV5 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
NAMPT P43490 1/20 0.33
GAA P10253 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL20186999 0.87 POLB (0.45) POLBIMPDH2KDM4EALDH1A1HPGD
SCHEMBL20187000 0.85 ALDH1A1 (0.40) IMPDH2ALDH1A1RORCTSHRNAMPT
SCHEMBL31284484 0.84 IMPDH2 (0.46) IMPDH2P2RY12ALDH1A1RORCCYP3A4
SCHEMBL20187004 0.84 IMPDH2 (0.46) IMPDH2P2RY12ALDH1A1RORCCYP3A4
SCHEMBL20186966 0.82 POLB (0.41) POLBIMPDH2KDM4EALDH1A1HPGD
SCHEMBL20186960 0.81 POLB (0.41) POLBIMPDH2KDM4EALDH1A1HPGD
SCHEMBL20186981 0.78 POLB (0.39) POLBIMPDH2KDM4EALDH1A1HPGD
SCHEMBL20186984 0.77 ALDH1A1 (0.50) IMPDH2KDM4EALDH1A1HPGDGPR119
SCHEMBL20186964 0.74 IMPDH2 (0.50) IMPDH2ALDH1A1HPGDRORCBRPF1
SCHEMBL20186979 0.68 IMPDH2 (0.48) IMPDH2ALDH1A1HPGDRORCBRPF1

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 3901/4885IMPDH2 2394/4885P2RY12 486/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 POLB 3901/4885IMPDH2 2394/4885P2RY12 486/4885

“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.