SCHEMBL1688069

SCHEMBL1688069

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.34
▸ NAALAD2 Q9Y3Q0 3/20 0.34
▸ RRM1 P23921 1/20 0.33
▸ RRM2 P31350 1/20 0.33
▸ RRM2B Q7LG56 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ RIMKLA Q8IXN7 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL13185094 0.84 — —
SCHEMBL5489086 0.79 CA2 (0.42) FOLH1NAALAD2RIMKLASMN1; SMN2
SCHEMBL4519259 0.79 CA2 (0.42) FOLH1NAALAD2RIMKLASMN1; SMN2
SCHEMBL11131045 0.79 CA2 (0.42) FOLH1NAALAD2RIMKLASMN1; SMN2
SCHEMBL1632238 0.78 ECE1 (0.33) FOLH1NAALAD2RRM1RRM2RRM2B
SCHEMBL10272243 0.77 MAPT (0.41) FOLH1NAALAD2LMNAMAPT
SCHEMBL11298062 0.77 MAPT (0.39) FOLH1NAALAD2ALDH1A1MEN1LMNA
Ammonia Solution, Strong SCHEMBL4950520 0.77 TDP1 (0.44) FOLH1NAALAD2RIMKLASMN1; SMN2
SCHEMBL16675994 0.76 MAPT (0.53) FOLH1NAALAD2RRM1RRM2RRM2B
SCHEMBL25928849 0.76 ACE (0.36) FOLH1NAALAD2RRM1RRM2RRM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120088902-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GRPR, GCGR, GIPR FOLH1 2980/4885NAALAD2 3937/4885RRM1 3059/4885
US-20120283411-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GRPR, GCGR, GIPR FOLH1 2980/4885NAALAD2 3937/4885RRM1 3059/4885

“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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