SCHEMBL4607776

SCHEMBL4607776

NCCS(=O)(=O)OC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1154476 0.74 TSHR (0.37) LMNASLC6A6CYP2C19BLMTSHR
SCHEMBL20742048 0.73 TSHR (0.43) TSHR
SCHEMBL8420074 0.72 HTT (0.33) LMNATSHR
SCHEMBL1794070 0.71 TSHR (0.41) TSHR
Cadaverine Tartrate SCHEMBL1154468 0.70 BLM (0.64) LMNASLC6A6CYP2C19BLMTSHR
SCHEMBL9437852 0.70 TSHR (0.39) TSHR
SCHEMBL3634910 0.70 TSHR (0.39) TSHR
Benzene SCHEMBL9474100 0.68 TSHR (0.38) TSHR
SCHEMBL1154473 0.68 LMNA (0.37) LMNASLC6A6CYP2C19BLM
Cadaverine Tartrate SCHEMBL342524 0.65 TSHR (0.67) LMNABLMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942877-A1 ORGANOLEPTICALLY ACCEPTABLE IBUPROFEN ORAL DOSAGE FORMULATIONS, METHODS OF MAKING AND USING THE SAME Teikoku Pharma USA, Inc. (US) 2008-07-16 EP claimed
WO-2007055887-A1 ORGANOLEPTICALLY ACCEPTABLE IBUPROFEN ORAL DOSAGE FORMULATIONS, METHODS OF MAKING AND USING THE SAME TEIKOKU PHARMA USA, INC. (US) 2007-05-18 WO claimed
US-20070098789-A1 Organoleptically acceptable ibuprofen oral dosage formulations, methods of making and using the same TEIKOKU PHARMA USA, INC. 2007-05-03 US claimed

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-20070098789-A1 Organoleptically acceptable ibuprofen oral dosage formulations, methods of making and using the same CYP2D6, CYP2A6, CYP2C9 LMNA 3815/4885SLC6A6 1981/4885CYP2C19 30/4885

“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.