SCHEMBL20187004

SCHEMBL20187004

Cc1ccc(CS(=O)(=O)Nc2ccc(C#N)c(C3CC3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.46
SGK1 O00141 1/20 0.39
P2RY12 Q9H244 3/20 0.39
GAA P10253 1/20 0.39
DRD4 P21917 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
RORC P51449 3/20 0.37
CYP19A1 P11511 1/20 0.37
PGR P06401 1/20 0.36
NAMPT P43490 1/20 0.36
BRPF1 P55201 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL31284484 1.00 IMPDH2 (0.46) IMPDH2SGK1P2RY12GAADRD4
SCHEMBL20186987 0.84 POLB (0.38) IMPDH2P2RY12GAACYP3A4CYP2C9
SCHEMBL20186964 0.84 IMPDH2 (0.50) IMPDH2GAARORCCYP19A1PGR
SCHEMBL20186979 0.81 IMPDH2 (0.48) IMPDH2GAARORCCYP19A1PGR
SCHEMBL20187005 0.81 SLC22A12 (0.54) IMPDH2GAABRPF1NPC1ALDH1A1
SCHEMBL20186969 0.81 IMPDH2 (0.48) IMPDH2P2RY12GAACYP3A4CYP2C9
SCHEMBL20186975 0.80 IMPDH2 (0.48) IMPDH2PGRHDAC8ALDH1A1SLC22A12
SCHEMBL20186980 0.79 SLC22A12 (0.54) IMPDH2RORCPGRSLC22A12
SCHEMBL20186993 0.79 IMPDH2 (0.46) IMPDH2P2RY12GAACYP3A4CYP2C9
SCHEMBL20186967 0.78 IMPDH2 (0.45) IMPDH2SGK1P2RY12CYP3A4CYP2C9

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 2394/4885SGK1 1793/4885P2RY12 486/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 IMPDH2 2394/4885SGK1 1793/4885P2RY12 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.