SCHEMBL10272243

SCHEMBL10272243

CCNC(CC(=O)NC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ PSMB5 P28074 4/20 0.34
▸ PSMB8 P28062 4/20 0.33
▸ FOLH1 Q04609 2/20 0.32
▸ NAALAD2 Q9Y3Q0 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ POLB P06746 1/20 0.31

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
SCHEMBL1631674 0.81 MAPT (0.44) MAPTHDAC2MMP2MMP9NPC1
SCHEMBL13660683 0.81 MAPT (0.44) MAPTHDAC2MMP2MMP9NPC1
SCHEMBL1688066 0.80 MCL1 (0.39) MAPTMMP2MMP9NPC1LMNA
SCHEMBL1688069 0.77 FOLH1 (0.34) MAPTLMNAFOLH1NAALAD2
SCHEMBL25454622 0.76 KCNN4 (0.42) MAPTMMP2MMP9NPC1LMNA
SCHEMBL31501069 0.76 MAPT (0.51) MAPTMMP2MMP9NPC1LMNA
SCHEMBL5489086 0.76 CA2 (0.42) FOLH1NAALAD2
SCHEMBL11131045 0.76 CA2 (0.42) FOLH1NAALAD2
SCHEMBL4519259 0.76 CA2 (0.42) FOLH1NAALAD2
SCHEMBL14112000 0.74 MCL1 (0.40) MMP2MMP9POLB

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-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-20100029582-A1 Anticoagulant Antithrombotic Dual Inhibitors Comprising a Biotin Label MERCK SHARP & DOHME B.V. (NL) 2010-02-04 — — 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 (5 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 MAPT 4803/4885HDAC2 4189/4885MMP2 3136/4885
US-20120040892-A9 Methods and Compositions for the Treatment of Heart Failure and Other Disorders GCGR, GCG, GIPR MAPT 4803/4885HDAC2 4189/4885MMP2 3136/4885
US-20100029582-A1 Anticoagulant Antithrombotic Dual Inhibitors Comprising a Biotin Label FGB, F13B, SERPINC1 MAPT 4880/4885HDAC2 768/4885MMP2 862/4885
US-20090192083-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GRPR, GCGR, GIPR MAPT 4209/4885HDAC2 4075/4885MMP2 3478/4885
US-20090305993-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GIPR, VIP, GCGR MAPT 4367/4885HDAC2 3939/4885MMP2 3213/4885

“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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