SCHEMBL7934258

SCHEMBL7934258

O=C(CS)NCc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.52
TP53 P04637 1/20 0.49
LMNA P02545 1/20 0.48
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
MAPT P10636 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL5144626 0.84 P2RX7 (0.55) P2RX7TP53LMNAEPHX2ALDH1A1
SCHEMBL7934893 0.80 P2RX7 (0.53) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL5271965 0.78 EPHX2 (0.67) P2RX7TP53LMNAEPHX2MAPT
SCHEMBL5142907 0.77 P2RX7 (0.47) P2RX7TP53EPHX2ALDH1A1MAPT
SCHEMBL8288257 0.77 ALDH1A1 (0.65) ALDH1A1HDAC1HDAC8CYP1A2CYP2C19
SCHEMBL4236331 0.76 KCNH2 (0.48) P2RX7TP53EPHX2ALDH1A1KCNJ5
SCHEMBL5500906 0.74 IDO1 (0.43) TP53ALDH1A1MEN1KMT2A
SCHEMBL7927014 0.74 P2RX7 (0.58) P2RX7LMNAEPHX2KCNJ5KCNJ3
SCHEMBL13812911 0.74 TMPRSS4 (0.68) P2RX7TP53LMNAMEN1KMT2A
SCHEMBL8288255 0.74 ACHE (0.56) ALDH1A1MAPTHDAC1HDAC8CYP1A2

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 P2RX7 3628/4885TP53 2232/4885LMNA 1805/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 P2RX7 969/4885TP53 4251/4885LMNA 1069/4885

“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.