SCHEMBL248422

SCHEMBL248422

CCCCCOc1ccc(Nc2nc(CN3CCCC(C(=O)O)C3)cs2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 10/20 0.49
ADRA2B P18089 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
EGFR P00533 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CD274 Q9NZQ7 2/20 0.37
SLC6A1 P30531 1/20 0.37
S1PR1 P21453 7/20 0.37
GAA P10253 1/20 0.37
BCHE P06276 1/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR4 O95977 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
SCHEMBL250030 0.91 KDM4E (0.47) S1PR5ADRA2BSLC6A4SLC6A3TMEM97
SCHEMBL205155 0.90 S1PR5 (0.47) S1PR5ADRA2BSLC6A4SLC6A3TMEM97
SCHEMBL205846 0.88 LMNA (0.46) ADRA2BSLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL249954 0.86 S1PR5 (0.64) S1PR5MEN1MAPTKMT2AS1PR1
SCHEMBL250212 0.86 MEN1 (0.39) S1PR5EGFRMEN1MAPTKMT2A
SCHEMBL250213 0.86 MEN1 (0.39) S1PR5EGFRMEN1MAPTKMT2A
SCHEMBL2698483 0.86 CDK4 (0.44) S1PR5EGFRMEN1MAPTKMT2A
SCHEMBL248468 0.84 SPHK1 (0.43) S1PR5EGFRMEN1MAPTKMT2A
SCHEMBL254052 0.84 SMN1; SMN2 (0.47) MAPTKMT2AKDM4EGAA
SCHEMBL250069 0.83 MEN1 (0.37) S1PR5MEN1MAPTKMT2AKDM4E

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 S1PR5 2976/4885ADRA2B 1519/4885SLC6A4 1133/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR5 2976/4885ADRA2B 1519/4885SLC6A4 1133/4885

“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.