SCHEMBL5776777

SCHEMBL5776777

CC(C)(C)OC(=O)Nc1cccnc1C#C[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.49
TDP2 O95551 2/20 0.41
NAMPT P43490 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
ATR Q13535 1/20 0.38
PLCG1 P19174 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CYP17A1 P05093 1/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.35
P2RY1 P47900 1/20 0.35

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
SCHEMBL5801065 0.84 METAP1 (0.48) METAP1TDP2NAMPTPOLBLMNA
SCHEMBL23482061 0.83 PLCG1 (0.52) METAP1TDP2NAMPTPOLBLMNA
SCHEMBL30534254 0.83 PLCG1 (0.52) METAP1TDP2NAMPTPOLBLMNA
SCHEMBL1680617 0.82 BRD4 (0.49) POLBBRD4
SCHEMBL17522467 0.80 MEN1 (0.52) METAP1POLBLMNABRD9RXFP1
SCHEMBL3888236 0.79 SLC40A1 (0.43) POLBTDP1RAB9ABRD4
SCHEMBL1479193 0.77 METAP1 (0.47) METAP1TDP2NAMPTPOLBLMNA
SCHEMBL15266282 0.76 METAP1 (0.56) METAP1TDP2NAMPTPOLBLMNA
SCHEMBL3243855 0.76 METAP1 (0.56) METAP1TDP2NAMPTPOLBLMNA
SCHEMBL2392457 0.76 METAP1 (0.56) METAP1TDP2NAMPTPOLBLMNA

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
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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 (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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R METAP1 2140/4885TDP2 3295/4885NAMPT 3568/4885

“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.