SCHEMBL15837682

SCHEMBL15837682

CC(C)CCC(=O)N1CCC2(CC1)CC(c1cccs1)=NO2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
GBA1 P04062 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
QPCT Q16769 1/20 0.36
NAMPT P43490 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
SCHEMBL22417656 0.87 RAB9A (0.41) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17300415 0.84 NPC1 (0.37) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15837555 0.84 NPC1 (0.44) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15837562 0.83 POLB (0.42) MEN1KMT2A
SCHEMBL22417691 0.81 ITGB1 (0.33) RAB9AKDM4EALDH1A1NPC1PKM
SCHEMBL15838589 0.80 NPC1 (0.38) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL15837715 0.80 ALDH1A1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL15837568 0.80 CRBN (0.42) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL15838036 0.80 NAMPT (0.37) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15837719 0.79 FKBP1A (0.41) ALDH1A1SMN1; SMN2MAPTNAMPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935281-B1 SPIROISOXAZOLINE COMPOUNDS HAVING AN ACTIVITY POTENTIATING THE ACTIVITY OF AN ANTIBIOTIC UNIVERSITÉ DE DROIT ET DE LA SANTÉ DE LILLE 2 (FR) 2020-09-09 EP disclosed
US-10174050-B2 Spiroisoxazoline compounds having an activity potentiating the activity of an antibiotic UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2019-01-08 US disclosed
US-20150344498-A1 Spiroisoxazoline Compounds Having an Activity Potentiating the Activity of an Antibiotic UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2015-12-03 US disclosed
US-20150344498-A1 Spiroisoxazoline Compounds Having an Activity Potentiating the Activity of an Antibiotic UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2015-12-03 US disclosed
WO-2014096369-A1 SPIROISOXAZOLINE COMPOUNDS HAVING AN ACTIVITY POTENTIATING THE ACTIVITY OF AN ANTIBIOTIC UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2014-06-26 WO 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-20150344498-A1 Spiroisoxazoline Compounds Having an Activity Potentiating the Activity of an Antibiotic NPPA, CFTR, TCF7 RAB9A 1044/4885GBA1 610/4885KDM4E 4533/4885
US-10174050-B2 Spiroisoxazoline compounds having an activity potentiating the activity of an antibiotic NPPA, CFTR, TCF7 RAB9A 1044/4885GBA1 610/4885KDM4E 4533/4885

“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.