SCHEMBL7927014

SCHEMBL7927014

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.58
TRPV1 Q8NER1 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
IDO1 P14902 2/20 0.47
KDR P35968 1/20 0.47
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
NR3C1 P04150 2/20 0.46
EPHX2 P34913 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AURKB Q96GD4 1/20 0.46
SCN3A Q9NY46 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 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
SCHEMBL15682792 0.85 P2RX7 (0.57) P2RX7TRPV1CA1CA2CA7
SCHEMBL15682823 0.83 P2RX7 (0.56) P2RX7TRPV1CA1CA2CA7
SCHEMBL22537452 0.82 P2RX7 (0.58) P2RX7TRPV1CA1CA2CA7
SCHEMBL30791532 0.82 P2RX7 (0.58) P2RX7TRPV1CA1CA2CA7
SCHEMBL15682812 0.82 P2RX7 (0.55) P2RX7TRPV1CA1CA2CA7
SCHEMBL7937579 0.82 TSHR (0.63) P2RX7TRPV1IDO1EPHX2LMNA
SCHEMBL15682843 0.81 PYGL (0.58) P2RX7TRPV1CA1CA2CA7
SCHEMBL15668444 0.81 P2RX7 (0.57) P2RX7TRPV1CA1CA2CA7
SCHEMBL15668150 0.81 P2RX7 (0.54) P2RX7TRPV1CA1CA2CA7
SCHEMBL15682846 0.80 P2RX7 (0.53) P2RX7TRPV1IDO1AURKARPS6KB1

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 3628/4885TRPV1 3646/4885CA1 291/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 P2RX7 969/4885TRPV1 484/4885CA1 566/4885

“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.