SCHEMBL17210508

SCHEMBL17210508

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSD P07339 9/20 0.52
BACE1 P56817 9/20 0.52
ALDH1A1 P00352 1/20 0.47
FOLH1 Q04609 1/20 0.43
CTSB P07858 1/20 0.41
FPR1 P21462 4/20 0.41
FPR2 P25090 4/20 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
SCHEMBL20255738 0.98 CTSD (0.50) CTSDBACE1ALDH1A1FOLH1CTSB
SCHEMBL21012039 0.98 CTSD (0.50) CTSDBACE1ALDH1A1FOLH1CTSB
SCHEMBL17210507 0.95 CTSD (0.50) CTSDBACE1ALDH1A1FOLH1CTSB
SCHEMBL17951617 0.93 CTSD (0.49) CTSDBACE1ALDH1A1FOLH1CTSB
SCHEMBL17951689 0.90 ALDH1A1 (0.58) CTSDBACE1ALDH1A1FOLH1
SCHEMBL16557150 0.88 ALDH1A1 (0.65) CTSDBACE1ALDH1A1FOLH1
SCHEMBL21049238 0.88 ALDH1A1 (0.60) CTSDBACE1ALDH1A1FOLH1CTSB
SCHEMBL21049237 0.88 ALDH1A1 (0.60) CTSDBACE1ALDH1A1FOLH1CTSB
SCHEMBL17536609 0.88 ALDH1A1 (0.60) CTSDBACE1ALDH1A1FOLH1CTSB
SCHEMBL17536608 0.88 ALDH1A1 (0.60) CTSDBACE1ALDH1A1FOLH1CTSB

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-2015164289-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2015-10-29 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 CTSD 1086/4885BACE1 432/4885ALDH1A1 3893/4885

“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.