SCHEMBL207938

SCHEMBL207938

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(OC)cc3)cs2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.73
MEN1 O00255 8/20 0.71
MAPT P10636 8/20 0.71
KMT2A Q03164 8/20 0.71
RAB9A P51151 7/20 0.71
SMN1; SMN2 Q16637 7/20 0.71
NPC1 O15118 5/20 0.71
GAA P10253 4/20 0.71
ALOX5 P09917 4/20 0.65
VCP P55072 1/20 0.65
NFKB1 P19838 4/20 0.65
NFKB2 Q00653 4/20 0.65
RELA Q04206 4/20 0.65
ALDH1A1 P00352 4/20 0.65
MCL1 Q07820 1/20 0.65
RECQL P46063 1/20 0.65
MAPK1 P28482 2/20 0.64
CSNK2A1 P68400 1/20 0.60
LMNA P02545 2/20 0.56
CYP1A1 P04798 1/20 0.56

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
SCHEMBL205162 1.00 PTGS2 (0.73) PTGS2MEN1MAPTKMT2ARAB9A
SCHEMBL204770 0.90 ALOX5 (0.67) PTGS2MEN1MAPTKMT2ARAB9A
SCHEMBL208684 0.90 ALOX5 (0.60) PTGS2MEN1MAPTKMT2ARAB9A
SCHEMBL207205 0.90 ALOX5 (0.60) PTGS2MEN1MAPTKMT2ARAB9A
SCHEMBL208663 0.90 ALOX5 (0.60) PTGS2MEN1MAPTKMT2ARAB9A
SCHEMBL206982 0.90 ALOX5 (0.60) PTGS2MEN1MAPTKMT2ARAB9A
SCHEMBL249562 0.90 ALOX5 (0.77) PTGS2MEN1MAPTKMT2ARAB9A
SCHEMBL206619 0.90 ALOX5 (0.60) PTGS2MEN1MAPTKMT2ARAB9A
SCHEMBL206383 0.90 RAB9A (0.60) PTGS2MEN1MAPTKMT2ARAB9A
SCHEMBL206286 0.90 RAB9A (0.60) PTGS2MEN1MAPTKMT2ARAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (2 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 PTGS2 3352/4885MEN1 3862/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PTGS2 3352/4885MEN1 3862/4885MAPT 2207/4885

“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.