SCHEMBL7933287

SCHEMBL7933287

O=C(CS)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
KDM4E B2RXH2 1/20 0.66
FABP4 P15090 1/20 0.62
SLC2A1 P11166 1/20 0.61
HPGD P15428 1/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56

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
SCHEMBL20219039 0.86 TSHR (0.76) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL31023418 0.85 TSHR (0.73) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL4002460 0.85 TSHR (0.73) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL7932797 0.84 CYP3A4 (0.69) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL10032004 0.83 TSHR (0.71) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL15302068 0.83 TSHR (1.00) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL27833985 0.83 TSHR (0.71) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL9775876 0.82 TSHR (0.69) TSHRKDM4EFABP4SLC2A1HPGD
SCHEMBL7923953 0.80 MAPT (0.54) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL7933600 0.80 POLB (0.54) TSHRKDM4EHPGDMEN1KMT2A

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 4106/4885KDM4E 1274/4885FABP4 2791/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 TSHR 656/4885KDM4E 1963/4885FABP4 1992/4885

“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.