SCHEMBL2906720

SCHEMBL2906720

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.34
TSHR P16473 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
SCHEMBL1058528 0.94 MAPT (0.39) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL1058524 0.93 MAPT (0.38) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL2435295 0.92 MAPT (0.37) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL2435292 0.92 MAPT (0.38) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL3801396 0.87 RECQL (0.38) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL2438220 0.86 MAPT (0.36) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL1058529 0.85 ALDH1A1 (0.39) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL2438216 0.84 MAPT (0.37) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL2438222 0.82 MAPT (0.36) MAPTALDH1A1USP2SMN1; SMN2RECQL
SCHEMBL5720459 0.79 MDM4 (0.37) MAPTALDH1A1MDM4TP53KMT2A

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 14 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
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
EP-2264032-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBVIE INC (US) 2013-08-07 EP disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
EP-2216334-B1 HIV protease inhibiting sulfonamides ABBOTT LAB (US) 2012-10-31 EP disclosed
EP-2264032-A2 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-12-22 EP disclosed
EP-2216334-A1 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-08-11 EP disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
EP-1709037-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LAB (US) 2009-12-23 EP disclosed
EP-1709037-A2 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LABORATORIES (US) 2006-10-11 EP disclosed
EP-1697348-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US disclosed
WO-2005061450-A2 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LABORATORIES (US) 2005-07-07 WO disclosed
WO-2005061487-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-07-07 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 (3 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-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP MAPT 2176/4885ALDH1A1 2920/4885USP2 707/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP MAPT 2176/4885ALDH1A1 2920/4885USP2 707/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MAPT 2176/4885ALDH1A1 2920/4885USP2 707/4885

“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.