SCHEMBL16557153

SCHEMBL16557153

CSCCC(NC(C)=O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
BACE1 P56817 9/20 0.53
CTSD P07339 7/20 0.53
FOLH1 Q04609 1/20 0.49
MME P08473 4/20 0.48
TASP1 Q9H6P5 1/20 0.41
CTSB P07858 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41

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
SCHEMBL17951689 0.93 ALDH1A1 (0.58) ALDH1A1BACE1CTSDFOLH1
SCHEMBL17536609 0.92 ALDH1A1 (0.60) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL21049237 0.92 ALDH1A1 (0.60) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL21049238 0.92 ALDH1A1 (0.60) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL16557150 0.92 ALDH1A1 (0.65) ALDH1A1BACE1CTSDFOLH1BACE2
SCHEMBL17536608 0.92 ALDH1A1 (0.60) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL17951617 0.91 CTSD (0.49) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL17210508 0.86 CTSD (0.52) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL20255738 0.85 CTSD (0.50) ALDH1A1BACE1CTSDFOLH1CTSB
SCHEMBL21012039 0.85 CTSD (0.50) ALDH1A1BACE1CTSDFOLH1CTSB

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-20160213742-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2016-07-28 US disclosed
WO-2015035102-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2015-03-12 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-20160213742-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS FPR1, FPR3, FPR2 ALDH1A1 3893/4885BACE1 432/4885CTSD 1086/4885

“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.