SCHEMBL20186984

SCHEMBL20186984

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 2/20 0.46
CNR1 P21554 3/20 0.43
CNR2 P34972 1/20 0.43
CYP17A1 P05093 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.42
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
S100A9 P06702 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
IMPDH2 P12268 1/20 0.40

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
SCHEMBL20186999 0.89 POLB (0.45) ALDH1A1NPC1KDM4EHPGDGPR119
SCHEMBL20187000 0.82 ALDH1A1 (0.40) ALDH1A1NPC1MEN1KMT2ANPSR1
SCHEMBL20186966 0.82 POLB (0.41) ALDH1A1NPC1KDM4EHPGDGPR119
SCHEMBL20186960 0.81 POLB (0.41) ALDH1A1GAAKDM4EHPGDGPR119
SCHEMBL20186981 0.78 POLB (0.39) ALDH1A1KDM4EHPGDGPR119CYP11B2
SCHEMBL20186987 0.77 POLB (0.38) ALDH1A1GAAKDM4EHPGDGPR119
SCHEMBL20186964 0.73 IMPDH2 (0.50) ALDH1A1NPC1KMT2AGAAHPGD
SCHEMBL20187005 0.71 SLC22A12 (0.54) ALDH1A1NPC1GAAIMPDH2
SCHEMBL20186989 0.71 AKR1B1 (0.38) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL526355 0.69 CYP17A1 (0.57) ALDH1A1NPC1GAAKDM4ECYP17A1

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 3042/4885NPC1 3644/4885MEN1 4883/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 ALDH1A1 3042/4885NPC1 3644/4885MEN1 4883/4885

“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.