SCHEMBL205555

SCHEMBL205555

Clc1ccccc1-c1csc(Nc2cccc(OCc3ccccc3)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.56
CYP1A1 P04798 4/20 0.56
CYP1B1 Q16678 4/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PTGS2 P35354 2/20 0.53
PLAU P00749 2/20 0.51
SYK P43405 1/20 0.49
ATP4A P20648 1/20 0.49
ATP4B P51164 1/20 0.49
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK1 P49759 1/20 0.47
GSK3A P49840 1/20 0.47

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
SCHEMBL208171 0.85 CYP1A2 (0.61) CYP1A2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL204328 0.85 CFTR (0.59) CYP1A2NPC1RAB9APTGS2SYK
SCHEMBL205743 0.85 PTGS2 (0.69) CYP1A2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL207028 0.83 AGER (0.67) CYP1A2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL207669 0.82 NPY5R (0.66) CYP1A2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL204767 0.80 CYP1A2 (0.60) CYP1A2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL205467 0.80 CFTR (0.50) CYP1A2NPC1RAB9AL3MBTL1PTGS2
SCHEMBL205852 0.79 MEN1 (0.70) CYP1A2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL2706322 0.79 NPY5R (0.53) CYP1A2CYP1A1CYP1B1NPC1RAB9A
SCHEMBL23539890 0.74 VCP (0.69) CYP1A2CYP1A1CYP1B1NPC1RAB9A

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 CYP1A2 603/4885CYP1A1 212/4885CYP1B1 235/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CYP1A2 603/4885CYP1A1 212/4885CYP1B1 235/4885

“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.