SCHEMBL18159716

SCHEMBL18159716

C=CCOC(=O)NCC(C)N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CASP1 P29466 7/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.33
ERN1 O75460 1/20 0.33
CYP3A4 P08684 1/20 0.33
FAAH O00519 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10049737 0.85 TDP1 (0.45) TDP1MAPTCACNA1BAPBA1CASP1
SCHEMBL28287911 0.84 TDP1 (0.40) TDP1MAPTCACNA1BAPBA1CASP1
SCHEMBL8302682 0.82 TDP1 (0.35) TDP1MAPTCACNA1BAPBA1CASP1
SCHEMBL8302673 0.82 TDP1 (0.35) TDP1MAPTCACNA1BAPBA1CASP1
SCHEMBL18756385 0.81 MAPT (0.36) TDP1MAPTCACNA1BAPBA1CASP1
Hydrochloric Acid SCHEMBL8388834 0.81 TDP1 (0.34) TDP1MAPTCACNA1BAPBA1CASP1
Hydrochloric Acid SCHEMBL8388839 0.81 TDP1 (0.34) TDP1MAPTCACNA1BAPBA1CASP1
SCHEMBL18756429 0.81 MAPT (0.38) TDP1MAPTCACNA1BAPBA1CASP1
SCHEMBL9313394 0.81 TDP1 (0.38) TDP1MAPTCACNA1BAPBA1CASP1
SCHEMBL11079356 0.81 TDP1 (0.38) TDP1MAPTCACNA1BAPBA1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
WO-2016168568-A1 DERIVATIVES OF AMPHOTERICIN B Revolution Medicines, Inc. (US) 2016-10-20 WO 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 (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-20160304548-A1 Derivatives of Amphotericin B C9, ERG28, AMPD3 TDP1 4765/4885MAPT 3990/4885CACNA1B 3762/4885

“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.