SCHEMBL5474103

SCHEMBL5474103

O=C(O)c1ccc(C2CCCCN2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 5/20 0.65
SIGMAR1 Q99720 5/20 0.65
FKBP1A P62942 3/20 0.50
PREP P48147 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM1A O60341 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL4122759 0.96 TMEM97 (0.60) TMEM97SIGMAR1PREPNPC1RAB9A
SCHEMBL4033512 0.91 TMEM97 (0.68) TMEM97SIGMAR1FKBP1APREPNPC1
SCHEMBL5456476 0.91 SIGMAR1 (0.63) TMEM97SIGMAR1FKBP1APREPNPC1
SCHEMBL27924857 0.91 TMEM97 (0.63) TMEM97SIGMAR1FKBP1APREPNPC1
Water SCHEMBL27700641 0.90 TMEM97 (0.67) TMEM97SIGMAR1FKBP1APREPNPC1
SCHEMBL27924834 0.90 TMEM97 (0.62) TMEM97SIGMAR1FKBP1APREPNPC1
Water SCHEMBL27740102 0.89 TMEM97 (0.66) TMEM97SIGMAR1FKBP1APREPNPC1
SCHEMBL5466528 0.89 TMEM97 (0.63) TMEM97SIGMAR1FKBP1APREPNPC1
Hydrochloric Acid SCHEMBL30145608 0.87 TMEM97 (0.64) TMEM97SIGMAR1FKBP1APREPNPC1
SCHEMBL4123903 0.87 TMEM97 (0.58) TMEM97SIGMAR1PREPNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 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 (1 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 TMEM97 4472/4885SIGMAR1 4594/4885FKBP1A 2682/4885

“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.