SCHEMBL3448683

SCHEMBL3448683

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1OCCN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PPARG P37231 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
GRM4 Q14833 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL3447654 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL3450320 0.82 DGAT1 (0.42) ALDH1A1KMT2AKDM4ETSHR
SCHEMBL3377209 0.82 DGAT1 (0.42) TSHRMAPK1
SCHEMBL3448303 0.82 MEN1 (0.39) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3448673 0.80 OPRK1 (0.50) GAAALDH1A1SMN1; SMN2TSHR
SCHEMBL3373117 0.80 TBXAS1 (0.42) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3447652 0.79 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL789862 0.78 ALPL (0.46) GAAALDH1A1KMT2AKDM4E
SCHEMBL29604061 0.78 ALPL (0.46) GAAALDH1A1KMT2AKDM4E
SCHEMBL3454899 0.77 KDM4E (0.48) GAAALDH1A1SMN1; SMN2MEN1KMT2A

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
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD GAA 259/4885ALDH1A1 530/4885SMN1; SMN2 3328/4885

“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.