SCHEMBL5452789

SCHEMBL5452789

C[C@]12CC[C@H]3[C@@H](CCC4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CC[C@H]2O

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 16/20 0.78
GRIN2B Q13224 16/20 0.78
GRIN2D O15399 3/20 0.78
GRIN2A Q12879 3/20 0.78
GRIN2C Q14957 3/20 0.78

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
SCHEMBL6547144 1.00 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL15753075 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19253209 0.88 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL15921393 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL15753296 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL14880426 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL17164619 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL17164640 0.88 GRIN1 (0.78) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19733234 0.88 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19253156 0.86 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379542-A2 TREATMENT OF TUMOURS Hagström, Tomas (SE) 2004-01-14 EP claimed
WO-2002072003-A2 USE OF STEROID DERIVATIVES FOR THE TREATMENT OF A BENIGHN AND/OR MALIGNANT TUMOUR HAGSTROEM TOMAS (SE) 2002-09-19 WO claimed
US-20070111973-A1 TREATMENT OF TUMOURS HAGSTROM TOMAS 2007-05-17 US disclosed
US-20050192262-A1 Treatment of tumours HAGSTROM, TOMAS (SE) 2005-09-01 US disclosed
EP-1379542-A2 TREATMENT OF TUMOURS Hagström, Tomas (SE) 2004-01-14 EP disclosed
WO-2002072003-A2 USE OF STEROID DERIVATIVES FOR THE TREATMENT OF A BENIGHN AND/OR MALIGNANT TUMOUR HAGSTROEM TOMAS (SE) 2002-09-19 WO 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-20050192262-A1 Treatment of tumours SULT2A1, SULT1A1, HSD17B11 GRIN1 3758/4885GRIN2B 3712/4885GRIN2D 3945/4885
US-20070111973-A1 TREATMENT OF TUMOURS SULT2A1, SULT1A1, SULT1E1 GRIN1 3279/4885GRIN2B 3364/4885GRIN2D 3399/4885

“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.