SCHEMBL205501

SCHEMBL205501

CCCCCOc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP1A1 P04798 4/20 0.52
CYP1B1 Q16678 4/20 0.52
CYP1A2 P05177 3/20 0.52
PTGS2 P35354 1/20 0.48
NAMPT P43490 1/20 0.47
DHODH Q02127 3/20 0.46
VCP P55072 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
AMY1A P0DUB6 2/20 0.42
HPGDS O60760 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
GSTO1 P78417 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2698348 0.88 AMY1A (0.56) NPC1RAB9AL3MBTL1CYP1A1CYP1B1
SCHEMBL208154 0.83 ALOX5 (0.56) NPC1RAB9ACYP1A1CYP1B1CYP1A2
SCHEMBL206015 0.83 PTGS2 (0.51) NPC1RAB9AL3MBTL1CYP1A1CYP1B1
SCHEMBL207764 0.83 ALOX5 (0.55) PTGS2VCPSPHK2SPHK1MEN1
SCHEMBL207241 0.81 PTGS2 (0.48) NPC1RAB9AL3MBTL1CYP1A1CYP1B1
SCHEMBL205809 0.81 AGER (0.52) NPC1RAB9ACYP1A1CYP1B1VCP
SCHEMBL205681 0.80 ALOX5 (0.54) NPC1RAB9ACYP1A1CYP1B1CYP1A2
SCHEMBL206319 0.80 SPHK2 (0.55) NPC1RAB9AL3MBTL1CYP1A1CYP1B1
SCHEMBL205341 0.80 RAB9A (0.64) NPC1RAB9AVCPMEN1KMT2A
SCHEMBL207120 0.79 ALOX5 (0.53) NPC1RAB9ACYP1A1CYP1B1CYP1A2

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 NPC1 62/4885RAB9A 1357/4885L3MBTL1 479/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPC1 62/4885RAB9A 1357/4885L3MBTL1 479/4885

“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.