SCHEMBL20187000

SCHEMBL20187000

Cc1cc(NS(=O)(=O)Cc2ccc(C3CC3)cc2)cc(C)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
IMPDH2 P12268 1/20 0.37
GAA P10253 1/20 0.34
NAMPT P43490 1/20 0.34
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL20186987 0.85 POLB (0.38) ALDH1A1IMPDH2GAANAMPTRORC
SCHEMBL20186999 0.84 POLB (0.45) ALDH1A1LMNAIMPDH2NAMPTNPC1
SCHEMBL20186984 0.82 ALDH1A1 (0.50) ALDH1A1MAPTIMPDH2GAANPC1
SCHEMBL20186966 0.78 POLB (0.41) ALDH1A1IMPDH2NAMPTNPC1RORC
SCHEMBL20186960 0.77 POLB (0.41) ALDH1A1IMPDH2GAANAMPTRORC
SCHEMBL20186981 0.74 POLB (0.39) ALDH1A1IMPDH2RORCTSHR
SCHEMBL20187004 0.72 IMPDH2 (0.46) ALDH1A1IMPDH2GAANAMPTNPC1
SCHEMBL31284484 0.72 IMPDH2 (0.46) ALDH1A1IMPDH2GAANAMPTNPC1
SCHEMBL20186964 0.69 IMPDH2 (0.50) ALDH1A1IMPDH2GAANAMPTNPC1
SCHEMBL22882385 0.68 TRIM24 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTGRIA1

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 ALDH1A1 3042/4885SMN1; SMN2 4882/4885LMNA 4777/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 ALDH1A1 3042/4885SMN1; SMN2 4882/4885LMNA 4777/4885

“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.