SCHEMBL204820

SCHEMBL204820

CCCCCOc1ccc(Nc2nc(C(=O)Nc3cccnc3)cs2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.47
S1PR1 P21453 2/20 0.46
RAF1 P04049 1/20 0.44
NOTUM Q6P988 1/20 0.43
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
MPL P40238 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL206558 0.90 S1PR1 (0.49) S1PR1LMNACA12CA1CA2
SCHEMBL205948 0.89 S1PR1 (0.47) S1PR1MEN1KMT2ACA12CA1
SCHEMBL206001 0.88 S1PR1 (0.49) S1PR1MEN1KMT2ACA12CA1
SCHEMBL206323 0.86 S1PR1 (0.50) S1PR1RAF1LMNAMEN1KMT2A
SCHEMBL205913 0.86 S1PR1 (0.50) S1PR1LMNACA12CA1CA2
SCHEMBL206022 0.86 S1PR1 (0.48) S1PR1LMNAKMT2ACA12CA1
SCHEMBL206586 0.86 S1PR1 (0.48) SGMS2S1PR1NOTUMLMNAHTR2A
SCHEMBL207399 0.85 S1PR1 (0.47) S1PR1CA12CA1CA2CA9
SCHEMBL206332 0.85 IRAK4 (0.56) S1PR1LMNAIRAK4MAPK1
SCHEMBL206042 0.84 CA2 (0.59) S1PR1CA12CA1CA2CA9

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 8 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-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 SGMS2 4408/4885S1PR1 1259/4885RAF1 1150/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SGMS2 4408/4885S1PR1 1259/4885RAF1 1150/4885

“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.