SCHEMBL20186977

SCHEMBL20186977

CC(=O)Nc1ccc(NS(=O)(=O)Cc2ccc(C)cc2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 2/20 0.44
POLB P06746 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
AR P10275 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL20186974 0.82 KMT2A (0.43) ALDH1A1PKMFFAR4LMNAMAPT
SCHEMBL20186961 0.80 FFAR4 (0.67) FFAR4KMT2AAR
SCHEMBL20186980 0.77 SLC22A12 (0.54) FFAR4AR
SCHEMBL20186983 0.77 FFAR4 (0.39) NPC1ALDH1A1FFAR4HPGDMAPT
SCHEMBL20186985 0.76 AR (0.48) ALDH1A1FFAR4LMNAHTTAR
SCHEMBL13483657 0.76 MAPT (0.55) NPC1ALDH1A1POLBLMNAHPGD
SCHEMBL9807561 0.76 MAP2K1 (0.54) ALDH1A1TDP1
SCHEMBL29448248 0.72 KMT2A (0.48) NPC1ALDH1A1POLBHPGDMEN1
SCHEMBL28704020 0.72 KMT2A (0.48) NPC1ALDH1A1POLBHPGDMEN1
SCHEMBL7079342 0.71 L3MBTL1 (0.60) NPC1ALDH1A1MAPTMEN1KMT2A

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 NPC1 3644/4885ALDH1A1 3042/4885PKM 4250/4885
US-20180146666-A1 ABA RECEPTOR AGONISTS THAT MODULATE TRANSPIRATION ADORA2A, ADORA1, AAK1 NPC1 3644/4885ALDH1A1 3042/4885PKM 4250/4885

“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.