SCHEMBL7937579

SCHEMBL7937579

O=C(CS)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
TRPV1 Q8NER1 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 1/20 0.54
P2RX7 Q99572 2/20 0.52
TAOK1 Q7L7X3 1/20 0.51
TAOK3 Q9H2K8 1/20 0.51
IDO1 P14902 1/20 0.50
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
F7 P08709 1/20 0.49
APEX1 P27695 1/20 0.49
EPHX2 P34913 1/20 0.49
PYGL P06737 1/20 0.49

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
SCHEMBL11305715 0.87 TSHR (0.69) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL13683247 0.84 TSHR (0.65) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL31248395 0.84 TSHR (0.65) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL4035255 0.84 TSHR (0.65) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL3143102 0.83 TSHR (0.63) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL30259914 0.83 TSHR (0.68) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL6361222 0.83 TSHR (0.68) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL5653386 0.83 TSHR (0.63) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL24575982 0.82 TSHR (0.71) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL7927014 0.82 P2RX7 (0.58) TRPV1LMNAP2RX7IDO1EPHX2

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 TSHR 4106/4885TRPV1 3646/4885SMN1; SMN2 313/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 TSHR 656/4885TRPV1 484/4885SMN1; SMN2 120/4885

“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.