SCHEMBL16974355

SCHEMBL16974355

Cc1nnc(-c2ccc(CNC(=O)CCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)cc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTR1A P08908 6/20 0.35
▸ HTR7 P34969 6/20 0.35
▸ DRD2 P14416 3/20 0.35
▸ HTR6 P50406 3/20 0.35
▸ THRB P10828 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GLA P06280 1/20 0.34

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
SCHEMBL29742315 0.91 TP53 (0.43) TP53ALDH1A1SMN1; SMN2THRBHTT
SCHEMBL30326680 0.90 TP53 (0.35) TP53ALDH1A1HTR1AHTR7DRD2
SCHEMBL29603305 0.89 TP53 (0.37) TP53ALDH1A1SMN1; SMN2HTR1AHTR7
SCHEMBL15326722 0.89 TP53 (0.42) TP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL23519429 0.88 TP53 (0.37) TP53ALDH1A1SMN1; SMN2HTR1AHTR7
SCHEMBL30943672 0.87 KDM4E (0.37) TP53THRBKMT2AGLA
SCHEMBL31199169 0.83 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL17721291 0.83 RARB (0.38) TP53ALDH1A1SMN1; SMN2
SCHEMBL31083780 0.83 RARB (0.38) TP53ALDH1A1SMN1; SMN2
SCHEMBL21896456 0.83 RARB (0.38) TP53ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3100055-A1 STEPWISE ASSEMBLED CAPTURE COMPOUNDS COMPRISING A CLEAVABLE FUNCTION AND METHOD FOR ISOLATING AND/OR CHARACTERIZING BIOMOLECULES OR BIOMOLECULE FRAGMENTS, IN PARTICULAR PROTEINS OR PROTEIN FRAGMENTS, OF COMPLEX MIXTURES caprotec bioanalytics GmbH (DE) 2016-12-07 — — EP disclosed
US-20160349268-A1 STEPWISE ASSEMBLED CAPTURE COMPOUNDS COMPRISING A CLEAVABLE FUNCTION AND METHOD FOR ISOLATING AND/OR CHARACTERIZING BIOMOLECULES OR BIOMOLECULE FRAGMENTS, IN PARTICULAR PROTEINS OR PROTEIN FRAGMENTS, OF COMPLEX MIXTURES CAPROTEC BIOANALYTICS GMBH (DE) 2016-12-01 — — US disclosed
EP-2913674-A1 Stepwise assembled capture compounds comprising a cleavable function and method for isolating and/or characterizing biomolecules or biomolecule fragments, in particular proteins or protein fragments, of complex mixtures Caprotec Bioanalytics GmbH (DE) 2015-09-02 — — EP disclosed
WO-2015114023-A1 STEPWISE ASSEMBLED CAPTURE COMPOUNDS COMPRISING A CLEAVABLE FUNCTION AND METHOD FOR ISOLATING AND/OR CHARACTERIZING BIOMOLECULES OR BIOMOLECULE FRAGMENTS, IN PARTICULAR PROTEINS OR PROTEIN FRAGMENTS, OF COMPLEX MIXTURES CAPROTEC BIOANALYTICS GMBH (DE) 2015-08-06 — — 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-20160349268-A1 STEPWISE ASSEMBLED CAPTURE COMPOUNDS COMPRISING A CLEAVABLE FUNCTION AND METHOD FOR ISOLATING AND/OR CHARACTERIZING BIOMOLECULES OR BIOMOLECULE FRAGMENTS, IN PARTICULAR PROTEINS OR PROTEIN FRAGMENTS, OF COMPLEX MIXTURES FGB, CPB1, FURIN TP53 617/4885ALDH1A1 4855/4885SMN1; SMN2 4215/4885

“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.

Send feedback