SCHEMBL1633916

SCHEMBL1633916

CC(C)(C)NC(=O)C(CC(N)=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 4/20 0.38
▸ CPB2 Q96IY4 1/20 0.33
▸ PDCD1LG2 Q9BQ51 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GRB2 P62993 1/20 0.30

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
SCHEMBL24096004 0.85 ECE1 (0.38) ECE1CPB2PDCD1LG2CD274HDAC2
SCHEMBL13599664 0.82 MAPT (0.40) CPB2
SCHEMBL17159700 0.80 ECE1 (0.46) ECE1ALDH1A1
SCHEMBL17159699 0.80 ECE1 (0.46) ECE1ALDH1A1
SCHEMBL23695825 0.79 HDAC2 (0.34) HDAC2POLB
SCHEMBL1634160 0.78 ECE1 (0.36) ECE1
SCHEMBL19483456 0.78 ECE1 (0.36) ECE1
Hydrochloric Acid SCHEMBL20789044 0.78 ECE1 (0.45) ECE1ALDH1A1
Hydrochloric Acid SCHEMBL7805757 0.78 ECE1 (0.45) ECE1ALDH1A1
SCHEMBL18902807 0.78 ECE1 (0.37) ECE1HDAC2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779090-B2 Methods and compositions for the treatment of heart failure and other disorders IRONWOOD PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
US-20120283411-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-11-08 — — US disclosed
US-20120088902-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-04-12 — — US disclosed
US-20120040892-A9 Methods and Compositions for the Treatment of Heart Failure and Other Disorders WELLS FARGO BANK, NATIONAL ASSOCIATION 2012-02-16 — — US disclosed
US-20110021419-A1 Methods and Compositions for the Treatment of Heart Failure and Other Disorders Ironwood Pharmaceuticals Inc. 2011-01-27 — — US disclosed
US-20090305993-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-12-10 — — US disclosed
US-20090192083-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS IRONWOOD PHARMACEUTICALS, INC. 2009-07-30 — — US 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 (6 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-20110021419-A1 Methods and Compositions for the Treatment of Heart Failure and Other Disorders GCGR, GCG, GIPR ECE1 783/4885CPB2 554/4885PDCD1LG2 4663/4885
US-20120040892-A9 Methods and Compositions for the Treatment of Heart Failure and Other Disorders GCGR, GCG, GIPR ECE1 783/4885CPB2 554/4885PDCD1LG2 4663/4885
US-20120088902-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GRPR, GCGR, GIPR ECE1 3617/4885CPB2 2011/4885PDCD1LG2 2381/4885
US-20120283411-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GRPR, GCGR, GIPR ECE1 3617/4885CPB2 2011/4885PDCD1LG2 2381/4885
US-20090192083-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GRPR, GCGR, GIPR ECE1 2868/4885CPB2 1642/4885PDCD1LG2 2018/4885
US-20090305993-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GIPR, VIP, GCGR ECE1 1040/4885CPB2 305/4885PDCD1LG2 4798/4885

“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.

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