SCHEMBL20186989

SCHEMBL20186989

Cc1cc(NS(=O)(=O)Cc2ccc(Br)cc2F)cc(C)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.38
PGR P06401 2/20 0.37
AR P10275 1/20 0.37
BCAT2 O15382 2/20 0.36
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC22A12 Q96S37 2/20 0.35
PYCR1 P32322 1/20 0.34
P2RX7 Q99572 1/20 0.34
NMT1 P30419 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
RORC P51449 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM5 P08912 1/20 0.32

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
SCHEMBL7229403 0.77 AKR1B1 (0.37) AKR1B1KMT2AMEN1SMN1; SMN2PYCR1
SCHEMBL20186999 0.73 POLB (0.45) ALDH1A1POLBRORC
SCHEMBL20186966 0.72 POLB (0.41) ALDH1A1POLBRORC
SCHEMBL20186984 0.71 ALDH1A1 (0.50) KMT2AGAAMEN1MAPTALDH1A1
SCHEMBL18571257 0.70 AKR1B1 (0.45) AKR1B1MAPTPYCR1P2RX7NMT1
SCHEMBL20186960 0.68 POLB (0.41) GAAALDH1A1POLBRORC
SCHEMBL12982381 0.68 AKR1B1 (0.51) AKR1B1KMT2APYCR1P2RX7CHRM5
SCHEMBL30797087 0.68 AKR1B1 (0.51) AKR1B1KMT2APYCR1P2RX7CHRM5
SCHEMBL20187000 0.68 ALDH1A1 (0.40) KMT2AGAAMEN1MAPTSMN1; SMN2
SCHEMBL20186981 0.66 POLB (0.39) BCAT2ALDH1A1POLBRORC

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 AKR1B1 819/4885PGR 2797/4885AR 1334/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 AKR1B1 819/4885PGR 2797/4885AR 1334/4885

“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.