SCHEMBL1058529

SCHEMBL1058529

Cn1c(CN(CCN[C@](C)(C(=O)O)C(C)(C)C)C(=O)OCC2c3ccccc3-c3ccccc32)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.38
HDAC6 Q9UBN7 2/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MDM4 O15151 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2438222 0.87 MAPT (0.36) ALDH1A1MAPTHDAC6USP2SMN1; SMN2
SCHEMBL2906720 0.85 MAPT (0.39) ALDH1A1MAPTHDAC6USP2SMN1; SMN2
SCHEMBL1058528 0.83 MAPT (0.39) ALDH1A1MAPTHDAC6USP2SMN1; SMN2
SCHEMBL1058524 0.83 MAPT (0.38) ALDH1A1MAPTHDAC6USP2SMN1; SMN2
SCHEMBL2435295 0.82 MAPT (0.37) ALDH1A1MAPTHDAC6USP2SMN1; SMN2
SCHEMBL2435292 0.82 MAPT (0.38) ALDH1A1MAPTHDAC6USP2SMN1; SMN2
SCHEMBL3801396 0.81 RECQL (0.38) ALDH1A1MAPTHDAC6USP2SMN1; SMN2
SCHEMBL2438220 0.81 MAPT (0.36) ALDH1A1MAPTHDAC6USP2SMN1; SMN2
SCHEMBL2438216 0.80 MAPT (0.37) ALDH1A1MAPTHDAC6USP2SMN1; SMN2
SCHEMBL6449991 0.79 USP2 (0.41) ALDH1A1MAPTHDAC6USP2SMN1; SMN2

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-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-20050131042-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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 (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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ALDH1A1 2920/4885MAPT 2176/4885HDAC6 1172/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ALDH1A1 2920/4885MAPT 2176/4885HDAC6 1172/4885

“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.