SCHEMBL6040340

SCHEMBL6040340

NC(=O)[C@@H]1COC(=O)N1c1ccc([C@H]2CC[S@@+]([O-])CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.34
PIK3CA P42336 5/20 0.32
STING1 Q86WV6 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 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
SCHEMBL20990045 0.75 MAOA (0.30)
SCHEMBL6040387 0.75 MAOA (0.49) DGAT1
SCHEMBL3043385 0.75 MAOA (0.49) DGAT1
SCHEMBL3043386 0.75 MAOA (0.49) DGAT1
SCHEMBL3044472 0.75 MAOA (0.49) DGAT1
SCHEMBL6040388 0.75 MAOA (0.49) DGAT1
SCHEMBL26972851 0.73
SCHEMBL26972381 0.72 HDAC2 (0.30) DGAT1
SCHEMBL26972383 0.70
SCHEMBL26972385 0.68

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-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US disclosed
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY 2004-01-22 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 (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-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 QPCT 76/4885PIK3CA 4055/4885STING1 4821/4885

“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.