SCHEMBL10228697

SCHEMBL10228697

Cc1ccc(-n2c(C)cnc2SC(C)(C)C(=O)NC(C(=O)O)C(C)C)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 1/20 0.31
DGAT1 O75907 2/20 0.31
CYP3A4 P08684 1/20 0.30
ADAMTS4 O75173 1/20 0.30
MMP13 P45452 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30

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
SCHEMBL10226829 0.92 SLC22A12 (0.38) SLC22A12LMNAGAAHPGDSMN1; SMN2
SCHEMBL10226533 0.91 EGLN1 (0.36) SLC22A12LMNAGAAHPGDSMN1; SMN2
SCHEMBL15925189 0.91 LMNA (0.35) SLC22A12LMNAGAAHPGDSMN1; SMN2
SCHEMBL10226531 0.91 LMNA (0.35) SLC22A12LMNAGAAHPGDSMN1; SMN2
SCHEMBL10227771 0.90 SLC22A12 (0.36) SLC22A12EGLN1CYP2C9CYP2C19CYP3A4
SCHEMBL10226532 0.90 ALDH1A1 (0.36) SLC22A12LMNAGAAHPGDSMN1; SMN2
SCHEMBL10226530 0.89 EGLN1 (0.35) SLC22A12LMNAGAAHPGDSMN1; SMN2
SCHEMBL10228700 0.88 SLC22A12 (0.51) SLC22A12CYP2C9CYP2C19CYP3A4
SCHEMBL10228272 0.84 SLC22A12 (0.52) SLC22A12LMNAGAAHPGDSMN1; SMN2
SCHEMBL10226528 0.83 TP53 (0.35) SLC22A12LMNAGAAHPGDSMN1; SMN2

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-20190142805-A1 Novel Compounds and Compositions and Methods of Use ARDEA BIOSCIENCES INC. 2019-05-16 US disclosed
US-10183012-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2019-01-22 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
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-8357713-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES INC. (US) 2013-01-22 US disclosed
US-8283369-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES. INC. (US) 2012-10-09 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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 SLC22A12 1122/4885LMNA 503/4885GAA 140/4885
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885LMNA 503/4885GAA 140/4885
US-10183012-B2 Compounds and compositions and methods of use XDH, PON1, OAT SLC22A12 815/4885LMNA 258/4885GAA 155/4885
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885LMNA 503/4885GAA 140/4885
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885LMNA 503/4885GAA 140/4885
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885LMNA 503/4885GAA 140/4885
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885LMNA 503/4885GAA 140/4885
US-20190142805-A1 Novel Compounds and Compositions and Methods of Use XDH, PON1, GLS SLC22A12 1122/4885LMNA 503/4885GAA 140/4885

“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.