SCHEMBL6700916

SCHEMBL6700916

CC(C)COC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.61
NAALAD2 Q9Y3Q0 2/20 0.55
RIMKLA Q8IXN7 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.46
GGH Q92820 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
SCHEMBL21538566 0.87 FOLH1 (0.51) FOLH1NAALAD2RIMKLASMN1; SMN2
SCHEMBL18190841 0.87 FOLH1 (0.51) FOLH1NAALAD2RIMKLASMN1; SMN2
SCHEMBL25267184 0.83 SMN1; SMN2 (0.46) FOLH1SMN1; SMN2
SCHEMBL31444322 0.83 SMN1; SMN2 (0.46) FOLH1SMN1; SMN2
SCHEMBL6763914 0.83 SMN1; SMN2 (0.53) FOLH1SMN1; SMN2
SCHEMBL6701850 0.82 FOLH1 (0.44) FOLH1SMN1; SMN2
SCHEMBL2234720 0.81 MME (0.53) FOLH1SMN1; SMN2
SCHEMBL2234718 0.81 MME (0.53) FOLH1SMN1; SMN2
SCHEMBL18190834 0.81 ALDH1A1 (0.58) FOLH1SMN1; SMN2
SCHEMBL14719917 0.81 FOLH1 (0.60) FOLH1NAALAD2RIMKLAGGH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6387890-B1 CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; SEXUAL DISORDERS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2002-05-14 US claimed
EP-1049660-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-11-08 EP claimed
WO-1999019295-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-04-22 WO claimed
US-6723710-B2 BORON GROUP-SUBSTITUTED ACYCLIC ALPHA AMINO ACIDS ARE USEFUL FOR INHIBITING A VARIETY OF ARINASE- AND NO SYNTHASE-RELATED DISORDERS, INCLUDING HEART DISEASE, GASTROINTESTINAL MOTILITY DISORDERS, AND PENILE ERECTILE DYSFUNCTION IN HUMANS. THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2004-04-20 US disclosed
US-20040063666-A1 Compositions for inhibiting arginase activity NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2004-04-01 US disclosed
US-20030036529-A1 Compositions and methods for inhibiting arginase activity THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-02-20 US disclosed
US-6387890-B1 CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; SEXUAL DISORDERS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2002-05-14 US disclosed
EP-1049660-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-11-08 EP disclosed
WO-1999019295-A1 COMPOSITIONS AND METHODS FOR INHIBITING ARGINASE ACTIVITY TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-04-22 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-20040063666-A1 Compositions for inhibiting arginase activity ARG1, PDE3A, ARG2 FOLH1 296/4885NAALAD2 80/4885RIMKLA 357/4885

“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.