SCHEMBL7932159

SCHEMBL7932159

O=C(CS)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
TSHR P16473 2/20 0.67
HPGD P15428 2/20 0.67
HTT P42858 3/20 0.63
POLB P06746 2/20 0.62
DHODH Q02127 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
EPHX1 P07099 1/20 0.60
TAOK1 Q7L7X3 1/20 0.60
TAOK3 Q9H2K8 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL10806154 0.89 ALDH1A1 (0.71) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL2213195 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL4003611 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL606143 0.85 ALDH1A1 (1.00) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL3729153 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL14414533 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL4009579 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL659023 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTDHODH
SCHEMBL20990440 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTDHODH
SCHEMBL53323 0.85 ALDH1A1 (1.00) ALDH1A1TSHRHPGDHTTPOLB

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
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 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 (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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 ALDH1A1 496/4885TSHR 4106/4885HPGD 194/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885TSHR 656/4885HPGD 599/4885

“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.