SCHEMBL208773

SCHEMBL208773

CCCCCOc1ccc(Nc2nc(CC)cs2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
S1PR4 O95977 1/20 0.42
S1PR5 Q9H228 1/20 0.42
GCK P35557 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
PLA2G7 Q13093 1/20 0.38
PTGES O14684 1/20 0.38
EGFR P00533 1/20 0.38
P2RX3 P56373 1/20 0.38
THRA P10827 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
SCHEMBL205704 0.87 MAPT (0.40) MAPTMEN1KMT2AS1PR1S1PR3
SCHEMBL207376 0.87 CACNA1G (0.44) MAPTMEN1KMT2AS1PR1S1PR3
SCHEMBL206820 0.86 S1PR1 (0.48) MAPTMEN1KMT2AS1PR1S1PR4
SCHEMBL207331 0.86 MAPT (0.46) MAPTMEN1KMT2AS1PR1S1PR3
SCHEMBL207283 0.85 PTGES (0.41) MAPTMEN1KMT2AS1PR1S1PR3
SCHEMBL206370 0.83 RAB9A (0.46) MAPTMEN1KMT2AEGFRP2RX3
SCHEMBL207054 0.83 MAPT (0.54) MAPTMEN1KMT2APTGESSMN1; SMN2
SCHEMBL250069 0.83 MEN1 (0.37) MAPTMEN1KMT2AS1PR1S1PR3
SCHEMBL207524 0.83 MAPT (0.37) MAPTMEN1KMT2AS1PR1S1PR3
SCHEMBL248468 0.82 SPHK1 (0.43) MAPTMEN1KMT2AS1PR1S1PR3

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 9 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 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 MAPT 2207/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPT 2207/4885MEN1 3862/4885KMT2A 3476/4885

“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.