SCHEMBL21075889

SCHEMBL21075889

CCSCC(=O)NCC(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
GLA P06280 1/20 0.30

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
SCHEMBL22005285 0.84 GAA (0.33) ALDH1A1GAAHPGDMEN1KMT2A
SCHEMBL17369556 0.84 HDAC3 (0.32) ALDH1A1GAAHPGDL3MBTL1THRB
SCHEMBL10717635 0.83 HDAC3 (0.31) ALDH1A1GAAHPGDL3MBTL1THRB
SCHEMBL19749126 0.82 THRB (0.30) ALDH1A1GAAHPGDL3MBTL1THRB
SCHEMBL22005196 0.81 RECQL (0.33) ALDH1A1HPGD
SCHEMBL14444896 0.81 MGLL (0.32) KMT2A
SCHEMBL12568580 0.79 RECQL (0.33) ALDH1A1GAAHPGD
SCHEMBL9315493 0.79
SCHEMBL30440949 0.79 TERT (0.35)
SCHEMBL10136052 0.77 NPFFR1 (0.39) ALDH1A1GAAHPGDTSHRL3MBTL1

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-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2019-06-06 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-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885GAA 3332/4885HPGD 33/4885

“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.