SCHEMBL20186969

SCHEMBL20186969

CCc1cc(NS(=O)(=O)Cc2ccc(C)cc2)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.48
GAA P10253 1/20 0.41
PGR P06401 1/20 0.40
RORC P51449 3/20 0.39
CYP19A1 P11511 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
P2RY12 Q9H244 1/20 0.38

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
SCHEMBL20186993 0.91 IMPDH2 (0.46) IMPDH2GAAPGRRORCCYP19A1
SCHEMBL20186964 0.87 IMPDH2 (0.50) IMPDH2GAAPGRRORCCYP19A1
SCHEMBL20187005 0.85 SLC22A12 (0.54) IMPDH2GAAALDH1A1LMNANPC1
SCHEMBL20186979 0.85 IMPDH2 (0.48) IMPDH2GAAPGRRORCCYP19A1
SCHEMBL20186967 0.83 IMPDH2 (0.45) IMPDH2PGRLMNAHTTSLC22A12
SCHEMBL20186975 0.82 IMPDH2 (0.48) IMPDH2PGRALDH1A1SMN1; SMN2SLC22A12
SCHEMBL31284484 0.81 IMPDH2 (0.46) IMPDH2GAAPGRRORCCYP19A1
SCHEMBL20186980 0.81 SLC22A12 (0.54) IMPDH2PGRRORCSLC22A12
SCHEMBL20187004 0.81 IMPDH2 (0.46) IMPDH2GAAPGRRORCCYP19A1
SCHEMBL20186960 0.81 POLB (0.41) IMPDH2GAARORCHPGDALDH1A1

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 2394/4885GAA 1883/4885PGR 2797/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 IMPDH2 2394/4885GAA 1883/4885PGR 2797/4885

“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.