SCHEMBL206015

SCHEMBL206015

CCCCCOc1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
CYP1A1 P04798 7/20 0.49
CYP1B1 Q16678 7/20 0.49
CYP1A2 P05177 5/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
VCP P55072 2/20 0.44
DHODH Q02127 2/20 0.44
PTGES O14684 1/20 0.43
NAMPT P43490 1/20 0.43
ALOX5 P09917 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
AMY1A P0DUB6 2/20 0.41

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
SCHEMBL207241 0.88 PTGS2 (0.48) PTGS2CYP1A1CYP1B1CYP1A2NPC1
SCHEMBL207676 0.84 MAPT (0.53) CYP1A1CYP1B1CYP1A2NPC1RAB9A
SCHEMBL205501 0.83 NPC1 (0.55) PTGS2CYP1A1CYP1B1CYP1A2NPC1
SCHEMBL207054 0.82 MAPT (0.54) PTGS2CYP1A1CYP1B1CYP1A2NPC1
SCHEMBL206234 0.82 KMT2A (0.50) PTGS2CYP1A1CYP1B1NPC1VCP
SCHEMBL205267 0.82 CYP1A1 (0.53) PTGS2CYP1A1CYP1B1CYP1A2NPC1
SCHEMBL207101 0.81 SMN1; SMN2 (0.53) NPC1RAB9APTGES
SCHEMBL206360 0.80 MEN1 (0.45) PTGS2CYP1A1CYP1B1CYP1A2NPC1
SCHEMBL207768 0.80 MEN1 (0.60) CYP1A1CYP1B1CYP1A2NPC1RAB9A
SCHEMBL205496 0.80 PTGES (0.46) PTGS2CYP1A1CYP1B1CYP1A2NPC1

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 3352/4885CYP1A1 212/4885CYP1B1 235/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PTGS2 3352/4885CYP1A1 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.