SCHEMBL20718372

SCHEMBL20718372

COc1ccc(NC(=O)OCC(C)C(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.60
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 3/20 0.54
TP53 P04637 3/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
PKM P14618 1/20 0.49
GAA P10253 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49

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
SCHEMBL22550593 1.00 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1CYP1A2CYP2D6
SCHEMBL20717850 1.00 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1CYP1A2CYP2D6
SCHEMBL22793106 0.88 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1CYP1A2CYP2D6
SCHEMBL20718178 0.88 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1CYP1A2CYP2D6
SCHEMBL22550488 0.85 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1CYP1A2CYP2D6
SCHEMBL20717845 0.84 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1HPGDLMNA
SCHEMBL22550528 0.84 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1HPGDLMNA
SCHEMBL20718429 0.84 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1HPGDLMNA
SCHEMBL22550484 0.83 MAPT (0.53) SMN1; SMN2RAB9ANPC1CYP1A2CYP2C9
SCHEMBL22550456 0.83 LMNA (0.58) SMN1; SMN2RAB9ANPC1CYP1A2CYP2D6

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-20200325177-A1 METHODS OF MAKING STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-15 US disclosed
WO-2019028084-A1 METHODS OF MAKING STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-07 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 (1 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-20200325177-A1 METHODS OF MAKING STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF PLG, LIPA, MB SMN1; SMN2 3525/4885RAB9A 3115/4885NPC1 2832/4885

“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.