SCHEMBL207991

SCHEMBL207991

CCCCCCCCOc1ccc(Nc2nc(-c3cnc(Cl)nc3)cs2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.45
S1PR1 P21453 4/20 0.44
VCP P55072 2/20 0.41
PTGES O14684 1/20 0.40
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MCHR1 Q99705 1/20 0.37
NTSR1 P30989 1/20 0.37
PTGS2 P35354 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
SCHEMBL204857 0.92 S1PR1 (0.47) ALOX5S1PR1VCPS1PR4S1PR5
SCHEMBL207192 0.91 S1PR1 (0.47) ALOX5S1PR1VCPPTGESS1PR4
SCHEMBL204577 0.90 ALOX5 (0.46) ALOX5S1PR1VCPPTGESS1PR4
SCHEMBL205759 0.90 ALOX5 (0.44) ALOX5S1PR1PTGESS1PR4S1PR5
SCHEMBL207329 0.90 S1PR1 (0.45) ALOX5S1PR1VCPS1PR4S1PR5
SCHEMBL208515 0.90 ALOX5 (0.58) ALOX5VCPMEN1KMT2APTGS2
SCHEMBL206703 0.90 S1PR1 (0.42) ALOX5S1PR1VCPPTGESS1PR4
SCHEMBL2700258 0.89 ALOX5 (0.59) ALOX5VCPMEN1KMT2APTGS2
SCHEMBL208234 0.89 S1PR1 (0.44) ALOX5S1PR1VCPMEN1RAB9A
SCHEMBL208686 0.88 S1PR1 (0.46) ALOX5S1PR1VCPPTGESS1PR4

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 ALOX5 3410/4885S1PR1 1259/4885VCP 1270/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885S1PR1 1259/4885VCP 1270/4885

“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.