SCHEMBL2909929

SCHEMBL2909929

Cn1c(CN(CC=O)C(=O)O)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 3/20 0.46
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.44
GRM2 Q14416 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL14833539 0.82 HDAC6 (0.52) HDAC6SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL6449991 0.78 USP2 (0.41) HDAC6SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL15331067 0.74 HDAC6 (0.56) HDAC6SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL31248989 0.74 SMN1; SMN2 (0.65) HDAC6SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL3746825 0.74 SMN1; SMN2 (0.65) HDAC6SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL17933571 0.73 HDAC6 (0.72) HDAC6SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL6866036 0.73 SMN1; SMN2 (0.53) HDAC6SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL14685205 0.73 SMN1; SMN2 (0.68) HDAC6SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL5610013 0.73 SMN1; SMN2 (0.68) HDAC6SMN1; SMN2USP2ALDH1A1MAPT
SCHEMBL4497713 0.72 HDAC6 (0.61) HDAC6SMN1; SMN2USP2ALDH1A1MAPT

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 15 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-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 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-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 HDAC6 1172/4885SMN1; SMN2 4444/4885USP2 707/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP HDAC6 1172/4885SMN1; SMN2 4444/4885USP2 707/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP HDAC6 1172/4885SMN1; SMN2 4444/4885USP2 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.