SCHEMBL206349

SCHEMBL206349

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(C#N)nc3)cs2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.43
NTSR1 P30989 1/20 0.42
VCP P55072 1/20 0.42
CTSS P25774 8/20 0.42
CTSK P43235 6/20 0.42
S1PR4 O95977 2/20 0.40
S1PR5 Q9H228 2/20 0.40
ALOX5 P09917 3/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CHEK1 O14757 2/20 0.39
MCHR1 Q99705 1/20 0.38
PTGES O14684 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
SCHEMBL209147 0.99 NTSR1 (0.43) S1PR1NTSR1VCPCTSSCTSK
SCHEMBL206967 0.88 PTGES (0.45) VCPALOX5MEN1NPC1RAB9A
SCHEMBL204992 0.88 VCP (0.50) S1PR1NTSR1VCPCTSSCTSK
SCHEMBL208686 0.88 S1PR1 (0.46) S1PR1VCPS1PR4S1PR5ALOX5
SCHEMBL206216 0.87 S1PR1 (0.47) S1PR1VCPS1PR4S1PR5ALOX5
SCHEMBL208681 0.87 ALOX5 (0.46) S1PR1S1PR4S1PR5ALOX5MEN1
SCHEMBL204874 0.87 S1PR1 (0.47) S1PR1NTSR1VCPS1PR4S1PR5
SCHEMBL205851 0.87 S1PR1 (0.44) S1PR1VCPS1PR4S1PR5ALOX5
SCHEMBL207192 0.87 S1PR1 (0.47) S1PR1NTSR1VCPS1PR4S1PR5
SCHEMBL206889 0.87 S1PR1 (0.44) S1PR1VCPS1PR4S1PR5ALOX5

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 11 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-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 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 1259/4885NTSR1 2099/4885VCP 1270/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885NTSR1 2099/4885VCP 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.