SCHEMBL4872031

SCHEMBL4872031

COc1cccc([C@]2(CNC(=O)O)CC[C@@H](NC(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
SOAT1 P35610 8/20 0.48
KCNA3 P22001 8/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4872040 1.00 ALDH1A1 (0.51) ALDH1A1SOAT1KCNA3MAPTMEN1
SCHEMBL4876775 0.87 ALDH1A1 (0.42) ALDH1A1SOAT1KCNA3MAPTMEN1
SCHEMBL4876769 0.87 ALDH1A1 (0.42) ALDH1A1SOAT1KCNA3MAPTMEN1
SCHEMBL4878471 0.86 OPRM1 (0.46) ALDH1A1SOAT1MEN1KMT2A
SCHEMBL4878461 0.86 OPRM1 (0.46) ALDH1A1SOAT1MEN1KMT2A
SCHEMBL5772887 0.85 OPRM1 (0.44) ALDH1A1SOAT1MAPTMEN1KMT2A
SCHEMBL5772883 0.85 OPRM1 (0.44) ALDH1A1SOAT1MAPTMEN1KMT2A
SCHEMBL5772880 0.85 OPRM1 (0.44) ALDH1A1SOAT1MAPTMEN1KMT2A
SCHEMBL4876619 0.85 ALDH1A1 (0.41) ALDH1A1SOAT1KCNA3MAPTMEN1
SCHEMBL4876613 0.85 ALDH1A1 (0.41) ALDH1A1SOAT1KCNA3MAPTMEN1

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-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 ALDH1A1 2899/4885SOAT1 502/4885KCNA3 1959/4885

“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.