SCHEMBL18159725

SCHEMBL18159725

CC(C)(C)C(=O)[C@H](N)CCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.44
KEAP1 Q14145 1/20 0.44
PAOX Q6QHF9 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL18162805 0.82 GAA (0.51) GAALMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL21994880 0.82 GAA (0.54) GAALMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL21952349 0.82 GAA (0.54) GAALMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL20099471 0.81 SMN1; SMN2 (0.56) GAALMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2201068 0.80 GAA (0.57) GAALMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL18162791 0.78 GAA (0.51) GAALMNAKDM4ESMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL27041458 0.77 GAA (0.47) GAALMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL20099453 0.77 SMN1; SMN2 (0.50) GAALMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9530620 0.76 S1PR5 (0.38) SMN1; SMN2
SCHEMBL23396624 0.74 KEAP1 (0.55) GAALMNAKDM4ESMN1; SMN2ALDH1A1

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
US-10882883-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2021-01-05 US disclosed
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B ELION THERAPEUTICS, INC. 2020-08-20 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-20160304548-A1 Derivatives of Amphotericin B ELION THERAPEUTICS, INC. 2016-10-20 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 (3 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-20160304548-A1 Derivatives of Amphotericin B C9, ERG28, AMPD3 GAA 1108/4885LMNA 2238/4885KDM4E 2646/4885
US-10882883-B2 Derivatives of amphotericin B C9, ERG28, AMPD3 GAA 1108/4885LMNA 2238/4885KDM4E 2646/4885
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B C9, ERG28, AMPD3 GAA 1108/4885LMNA 2238/4885KDM4E 2646/4885

“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.