SCHEMBL1058237

SCHEMBL1058237

COC(CN(Cc1nc2ccccc2n1C)C(=O)OCC1c2ccccc2-c2ccccc21)OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 3/20 0.37
RECQL P46063 1/20 0.37
DRD2 P14416 1/20 0.36
GRM2 Q14416 1/20 0.36
NPC1 O15118 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6449991 0.85 USP2 (0.41) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL1058528 0.81 MAPT (0.39) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL2906720 0.79 MAPT (0.39) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL3801396 0.78 RECQL (0.38) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL1058529 0.78 ALDH1A1 (0.39) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL2435292 0.78 MAPT (0.38) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL1058524 0.77 MAPT (0.38) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL2435295 0.77 MAPT (0.37) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL2438216 0.76 MAPT (0.37) USP2SMN1; SMN2ALDH1A1HDAC6MAPT
SCHEMBL2438222 0.75 MAPT (0.36) USP2SMN1; SMN2ALDH1A1HDAC6MAPT

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 26 patents — showing the first 20. 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
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 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
EP-1697344-A2 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
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 WO disclosed
US-20050131042-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 US disclosed
US-20050131017-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 (7 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 USP2 707/4885SMN1; SMN2 4444/4885ALDH1A1 2920/4885
US-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 USP2 1989/4885SMN1; SMN2 4019/4885ALDH1A1 1209/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP USP2 707/4885SMN1; SMN2 4444/4885ALDH1A1 2920/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP USP2 707/4885SMN1; SMN2 4444/4885ALDH1A1 2920/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP USP2 707/4885SMN1; SMN2 4444/4885ALDH1A1 2920/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP USP2 707/4885SMN1; SMN2 4444/4885ALDH1A1 2920/4885
US-20050131042-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP USP2 707/4885SMN1; SMN2 4444/4885ALDH1A1 2920/4885

“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.