SCHEMBL3801396

SCHEMBL3801396

CC[C@H](C)[C@H](NCCN(Cc1nc2ccccc2n1C)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MDM2 Q00987 1/20 0.33

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
SCHEMBL2438216 0.93 MAPT (0.37) RECQLTSHRHDAC6MAPTNPC1
SCHEMBL2438220 0.91 MAPT (0.36) RECQLTSHRHDAC6MAPTNPC1
SCHEMBL2906720 0.87 MAPT (0.39) RECQLTSHRHDAC6MAPTNPC1
SCHEMBL1058524 0.86 MAPT (0.38) RECQLTSHRHDAC6MAPTNPC1
SCHEMBL2435295 0.84 MAPT (0.37) RECQLTSHRHDAC6MAPTNPC1
SCHEMBL1058528 0.83 MAPT (0.39) RECQLTSHRHDAC6MAPTNPC1
SCHEMBL2438222 0.83 MAPT (0.36) RECQLTSHRHDAC6MAPTNPC1
SCHEMBL2435292 0.82 MAPT (0.38) RECQLTSHRHDAC6MAPTNPC1
SCHEMBL1058529 0.81 ALDH1A1 (0.39) RECQLTSHRHDAC6MAPTNPC1
SCHEMBL6010495 0.80 HTT (0.40) RECQLKMT2AMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 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-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP RECQL 2900/4885TSHR 4854/4885HDAC6 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.