SCHEMBL207192

SCHEMBL207192

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.47
VCP P55072 3/20 0.43
NTSR1 P30989 1/20 0.43
ALOX5 P09917 4/20 0.42
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 2/20 0.41
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
CFTR P13569 1/20 0.39
PTGES O14684 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
USP2 O75604 1/20 0.38

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) S1PR1VCPNTSR1ALOX5S1PR4
SCHEMBL204874 0.91 S1PR1 (0.47) S1PR1VCPNTSR1ALOX5S1PR4
SCHEMBL207991 0.91 ALOX5 (0.45) S1PR1VCPNTSR1ALOX5S1PR4
SCHEMBL205759 0.90 ALOX5 (0.44) S1PR1ALOX5S1PR4S1PR5PTGES
SCHEMBL206476 0.90 S1PR1 (0.46) S1PR1VCPNTSR1ALOX5S1PR4
SCHEMBL207329 0.90 S1PR1 (0.45) S1PR1VCPNTSR1ALOX5S1PR4
SCHEMBL208234 0.89 S1PR1 (0.44) S1PR1VCPNTSR1ALOX5MEN1
SCHEMBL3124460 0.89 S1PR1 (0.45) S1PR1VCPNTSR1ALOX5S1PR4
SCHEMBL207803 0.88 HSPD1 (0.50) S1PR1VCPNTSR1ALOX5CFTR
SCHEMBL208686 0.88 S1PR1 (0.46) S1PR1VCPALOX5S1PR4S1PR5

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 1259/4885VCP 1270/4885NTSR1 2099/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885VCP 1270/4885NTSR1 2099/4885

“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.