SCHEMBL206703

SCHEMBL206703

CCCCCCCCOc1ccc(Nc2nc(-c3cnc(Cl)c(C)c3)cs2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.42
ALOX5 P09917 5/20 0.42
RAB9A P51151 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
VCP P55072 1/20 0.39
PTGES O14684 1/20 0.38
PTGS2 P35354 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
NPC1 O15118 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL206599 0.90 S1PR1 (0.44) S1PR1ALOX5RAB9AMEN1KMT2A
SCHEMBL207991 0.90 ALOX5 (0.45) S1PR1ALOX5RAB9AMEN1KMT2A
SCHEMBL207276 0.87 S1PR1 (0.44) S1PR1ALOX5MEN1KMT2APTGES
SCHEMBL204577 0.87 ALOX5 (0.46) S1PR1ALOX5RAB9AMEN1KMT2A
SCHEMBL208515 0.87 ALOX5 (0.58) ALOX5MEN1KMT2AVCPPTGS2
SCHEMBL204857 0.87 S1PR1 (0.47) S1PR1ALOX5RAB9AMEN1KMT2A
SCHEMBL205425 0.86 S1PR1 (0.44) S1PR1ALOX5RAB9AMEN1KMT2A
SCHEMBL207192 0.86 S1PR1 (0.47) S1PR1ALOX5RAB9AMEN1KMT2A
SCHEMBL2700258 0.86 ALOX5 (0.59) ALOX5MEN1KMT2AVCPPTGS2
SCHEMBL205751 0.86 S1PR1 (0.46) S1PR1ALOX5RAB9AMEN1KMT2A

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 S1PR1 1259/4885ALOX5 3410/4885RAB9A 1357/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885ALOX5 3410/4885RAB9A 1357/4885

“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.