SCHEMBL4455552

SCHEMBL4455552

CNC1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.58
CTSG P08311 1/20 0.58
CMA1 P23946 13/20 0.52
XIAP P98170 5/20 0.51

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
SCHEMBL7350737 1.00 ELANE (0.58) ELANECTSGCMA1XIAP
SCHEMBL4455535 1.00 ELANE (0.58) ELANECTSGCMA1XIAP
Hydrochloric Acid SCHEMBL6699938 0.91 ELANE (0.66) ELANECTSGCMA1
Hydrochloric Acid SCHEMBL7357221 0.91 ELANE (0.66) ELANECTSGCMA1
Hydrochloric Acid SCHEMBL6699949 0.91 ELANE (0.66) ELANECTSGCMA1
SCHEMBL7348515 0.88 ELANE (0.57) ELANECTSGCMA1XIAP
SCHEMBL7348523 0.88 ELANE (0.57) ELANECTSGCMA1XIAP
SCHEMBL7356337 0.88 ELANE (0.57) ELANECTSGCMA1XIAP
SCHEMBL7355184 0.82 ACE (0.57)
SCHEMBL7349280 0.80 CMA1 (0.66) ELANECTSGCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
US-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders INOUE JUN (JP) 2004-05-06 US disclosed
EP-1224945-A1 TENSION-RELIEVING AGENTS FOR CILIARY MUSCLE Senju Pharmaceutical Co., Ltd. (JP) 2002-07-24 EP disclosed
EP-1112749-A2 PREVENTIVES OR REMEDIES FOR EYE CIRCULATORY FAILURE Senju Pharmaceutical Co., Ltd. (JP) 2001-07-04 EP disclosed
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 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-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders CMA1, THOP1, TPSAB1 ELANE 867/4885CTSG 31/4885CMA1 1/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR ELANE 2176/4885CTSG 1249/4885CMA1 313/4885

“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.