SCHEMBL7932218

SCHEMBL7932218

Cc1c(NC(=O)CS)cccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.52
HPGD P15428 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 3/20 0.48
GAA P10253 1/20 0.47
DHODH Q02127 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5805358 0.84 POLB (0.65) HPGDALDH1A1POLBGAACYP1A2
SCHEMBL31554540 0.82 TAS2R14 (0.50) TAS2R14HPGDALDH1A1POLBGAA
SCHEMBL11067319 0.82 TAS2R14 (0.63) TAS2R14HPGDALDH1A1POLBGAA
SCHEMBL19638003 0.81 CYP1A2 (0.54) TAS2R14ALDH1A1POLBGAAHDAC6
SCHEMBL985910 0.81 TAS2R14 (0.57) TAS2R14HPGDALDH1A1POLBDHODH
SCHEMBL6475387 0.80 TAS2R14 (0.56) TAS2R14HPGDALDH1A1POLBDHODH
SCHEMBL23167346 0.78 TAS2R14 (0.58) TAS2R14HPGDALDH1A1POLBGAA
SCHEMBL15761172 0.78 TAS2R14 (0.55) TAS2R14ALDH1A1POLBDHODHHDAC6
SCHEMBL9457765 0.78 TAS2R14 (0.55) TAS2R14HPGDALDH1A1POLBGAA
SCHEMBL30977681 0.78 TAS2R14 (0.55) TAS2R14HPGDALDH1A1POLBGAA

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 6 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-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
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 TAS2R14 4469/4885HPGD 194/4885ALDH1A1 496/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 TAS2R14 2195/4885HPGD 599/4885ALDH1A1 2213/4885

“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.