SCHEMBL22550488

SCHEMBL22550488

COc1ccc(NC(=O)OCC[C@@H](C)C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.57
HPGD P15428 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CASP1 P29466 1/20 0.48
ANPEP P15144 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.47
SAE1 Q9UBE0 1/20 0.47

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
SCHEMBL20718372 0.85 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL20717850 0.85 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL22550593 0.85 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL22550553 0.84 MEN1 (0.52) SMN1; SMN2RAB9ANPC1HPGDL3MBTL1
SCHEMBL22550596 0.84 NPC1 (0.56) SMN1; SMN2RAB9ANPC1HPGDLMNA
SCHEMBL19861792 0.82 RAB9A (0.57) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL21059104 0.80 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL20718178 0.79 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL21059190 0.79 RAB9A (0.73) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL22793106 0.77 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1HPGDCYP1A2

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 1 patent. 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

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.