SCHEMBL206784

SCHEMBL206784

CCCCCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.51
S1PR1 P21453 2/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
AGER Q15109 1/20 0.41
ACHE P22303 1/20 0.40
JUN P05412 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
SCHEMBL2700258 0.79 ALOX5 (0.59) ALOX5
SCHEMBL206471 0.79 S1PR1 (0.44) DHODHS1PR1PTPN2PTPN1
SCHEMBL206228 0.79 DHODH (0.43) DHODHS1PR1
SCHEMBL208515 0.79 ALOX5 (0.58) ALOX5
SCHEMBL204432 0.78 KDR (0.48) DHODHS1PR1
SCHEMBL205764 0.78 S1PR1 (0.47) DHODHS1PR1PTGDR2
SCHEMBL3124573 0.77 CHRNA7 (0.52) DHODHS1PR1
SCHEMBL208285 0.77 DHODH (0.42) DHODHS1PR1
SCHEMBL248990 0.76 S1PR1 (0.49) DHODHS1PR1PTPN1PTGDR2
SCHEMBL205994 0.76 S1PR1 (0.43) DHODHS1PR1PTGESALOX5PTPN2

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 DHODH 1219/4885S1PR1 1259/4885PTGES 2882/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 DHODH 1219/4885S1PR1 1259/4885PTGES 2882/4885

“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.