SCHEMBL6139899

SCHEMBL6139899

CCOC(=O)CNCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
LTA4H P09960 5/20 0.46
EGLN1 Q9GZT9 1/20 0.41
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 1/20 0.39
PPID Q08752 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38

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
Hydrochloric Acid SCHEMBL6139898 0.98 ALDH1A1 (0.53) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL7429768 0.88 GAA (0.48) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL837763 0.88 ALDH1A1 (0.57) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL11185820 0.86 GAA (0.50) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL565701 0.85 GAA (0.54) ALDH1A1MAPTHPGDKMT2AGAA
Hydrochloric Acid SCHEMBL28426151 0.83 GAA (0.52) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL20188850 0.82 ALDH1A1 (0.42) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL17817739 0.81 TSHR (0.52) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL4856528 0.81 GAA (0.54) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL8469140 0.81 ALDH1A1 (0.51) ALDH1A1MAPTHPGDKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3210977-B1 NOVEL AMINOALKYL BENZOTHIAZEPINE DERIVATIVE AND USE THEREOF CJ HEALTHCARE CORP (KR) 2019-03-20 EP disclosed
US-9890129-B2 Aminoalkylbenzothiazepine derivatives and uses thereof CJ HEALTHCARE CORPORATION (KR) 2018-02-13 US disclosed
US-20170283386-A1 NOVEL AMINOALKYLBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF CJ HEALTHCARE CORPORATION (KR) 2017-10-05 US disclosed
EP-3210977-A2 NOVEL AMINOALKYL BENZOTHIAZEPINE DERIVATIVE AND USE THEREOF CJ Healthcare Corporation (KR) 2017-08-30 EP disclosed
US-20050261343-A1 Anthranilamides and their use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-11-24 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 (2 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-20050261343-A1 Anthranilamides and their use as pharmaceutical agents AADAC, ANTXR2, VEGFA ALDH1A1 1532/4885MAPT 3890/4885HPGD 112/4885
US-20170283386-A1 NOVEL AMINOALKYLBENZOTHIAZEPINE DERIVATIVES AND USES THEREOF SLC10A2, TMPRSS15, HTR5A ALDH1A1 1185/4885MAPT 1823/4885HPGD 1030/4885

“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.