SCHEMBL10176882

SCHEMBL10176882

Cc1ccc(-n2ccnc2SCC(=O)O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 4/20 0.53
TP53 P04637 3/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 3/20 0.47
USP2 O75604 1/20 0.46
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL24945057 0.85 MAPT (0.61) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL10176870 0.81 SLC22A12 (0.62) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL10176713 0.81 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MAPTUSP2CYP1A2
SCHEMBL24945054 0.80 ALDH1A1 (0.80) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL24945058 0.80 ALDH1A1 (0.65) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL24945060 0.80 LMNA (0.65) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL10176847 0.80 SLC22A12 (0.49) SMN1; SMN2ALDH1A1TP53CYP1A2CYP2C9
SCHEMBL10176859 0.80 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL10176869 0.78 SLC22A12 (0.45) SMN1; SMN2ALDH1A1POLBMAPTUSP2
SCHEMBL10228276 0.77 TP53 (0.38) SMN1; SMN2RAB9AALDH1A1TP53POLB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142805-A1 Novel Compounds and Compositions and Methods of Use ARDEA BIOSCIENCES INC. 2019-05-16 US disclosed
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2017-10-05 US disclosed
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2017-10-05 US disclosed
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
EP-2217577-B1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC (US) 2014-08-06 EP disclosed
US-8546437-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2013-10-01 US disclosed
US-8546437-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2013-10-01 US disclosed
US-8357713-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES INC. (US) 2013-01-22 US disclosed
US-8357713-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES INC. (US) 2013-01-22 US disclosed
US-20120164222-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2012-06-28 US disclosed
US-8084483-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2011-12-27 US disclosed
US-8084483-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2011-12-27 US disclosed
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-12-01 US disclosed
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-12-01 US disclosed
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2009-08-06 US disclosed
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2009-08-06 US disclosed
WO-2009070740-A2 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-06-04 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 (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-20120164222-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SMN1; SMN2 1210/4885NPC1 561/4885RAB9A 2885/4885
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SMN1; SMN2 1210/4885NPC1 561/4885RAB9A 2885/4885
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SMN1; SMN2 1210/4885NPC1 561/4885RAB9A 2885/4885
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SMN1; SMN2 1210/4885NPC1 561/4885RAB9A 2885/4885
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SMN1; SMN2 1210/4885NPC1 561/4885RAB9A 2885/4885
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SMN1; SMN2 1210/4885NPC1 561/4885RAB9A 2885/4885
US-20190142805-A1 Novel Compounds and Compositions and Methods of Use XDH, PON1, GLS SMN1; SMN2 1210/4885NPC1 561/4885RAB9A 2885/4885

“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.