SCHEMBL20186993

SCHEMBL20186993

CCCc1cc(NS(=O)(=O)Cc2ccc(C)cc2)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.46
GAA P10253 1/20 0.39
PGR P06401 1/20 0.38
RORC P51449 3/20 0.37
P2RY12 Q9H244 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 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
SCHEMBL20186969 0.91 IMPDH2 (0.48) IMPDH2GAAPGRRORCP2RY12
SCHEMBL20186964 0.84 IMPDH2 (0.50) IMPDH2GAAPGRRORCCYP19A1
SCHEMBL20186981 0.82 POLB (0.39) IMPDH2RORCBRPF1HDAC1HDAC8
SCHEMBL20186979 0.81 IMPDH2 (0.48) IMPDH2GAAPGRRORCCYP19A1
SCHEMBL20187005 0.81 SLC22A12 (0.54) IMPDH2GAABRPF1NPC1ALDH1A1
SCHEMBL20186967 0.80 IMPDH2 (0.45) IMPDH2PGRP2RY12CYP3A4CYP2C9
SCHEMBL20186975 0.80 IMPDH2 (0.48) IMPDH2PGRHDAC8ALDH1A1SLC22A12
SCHEMBL31284484 0.79 IMPDH2 (0.46) IMPDH2GAAPGRRORCP2RY12
SCHEMBL20186980 0.79 SLC22A12 (0.54) IMPDH2PGRRORCSLC22A12
SCHEMBL20187004 0.79 IMPDH2 (0.46) IMPDH2GAAPGRRORCP2RY12

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.