SCHEMBL20186966

SCHEMBL20186966

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
IMPDH2 P12268 1/20 0.38
BRPF1 P55201 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
RORC P51449 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 2/20 0.35
NAMPT P43490 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35

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 0.92 POLB (0.45) POLBIMPDH2BRPF1HDAC1HDAC8
SCHEMBL20186960 0.86 POLB (0.41) POLBIMPDH2BRPF1HDAC1HDAC8
SCHEMBL20186981 0.83 POLB (0.39) POLBIMPDH2BRPF1HDAC1HDAC8
SCHEMBL20186987 0.82 POLB (0.38) POLBIMPDH2BRPF1HDAC1HDAC8
SCHEMBL20186979 0.82 IMPDH2 (0.48) IMPDH2BRPF1HDAC1HDAC8HDAC6
SCHEMBL20186984 0.82 ALDH1A1 (0.50) IMPDH2ALDH1A1KDM4EHPGDGPR119
SCHEMBL20186964 0.79 IMPDH2 (0.50) IMPDH2BRPF1HDAC1HDAC8HDAC6
SCHEMBL20187000 0.78 ALDH1A1 (0.40) IMPDH2ALDH1A1RORCTSHRNAMPT
SCHEMBL20186969 0.72 IMPDH2 (0.48) IMPDH2ALDH1A1KDM4ERORCHPGD
SCHEMBL20187005 0.72 SLC22A12 (0.54) IMPDH2BRPF1ALDH1A1NPC1

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 2394/4885BRPF1 1004/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 POLB 3901/4885IMPDH2 2394/4885BRPF1 1004/4885

“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.