SCHEMBL248990

SCHEMBL248990

CCCCCOc1ccc(Nc2nc(-c3ccc(CC(=O)O)cc3)c(C)s2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.49
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
DHODH Q02127 3/20 0.46
PTPN1 P18031 2/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
S1PR4 O95977 1/20 0.41
S1PR5 Q9H228 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
SCHEMBL206167 0.89 S1PR1 (0.49) S1PR1DHODHPTPN1PPARGPPARD
SCHEMBL206460 0.89 S1PR1 (0.50) S1PR1DHODHPTPN1PPARGPPARD
SCHEMBL207470 0.87 RXRA (0.48) S1PR1RXRARXRBRXRGDHODH
SCHEMBL206471 0.87 S1PR1 (0.44) S1PR1DHODHPTPN1ALDH1A1MAPT
SCHEMBL207369 0.86 RXRA (0.46) S1PR1RXRARXRBRXRGDHODH
SCHEMBL208026 0.85 DHODH (0.46) S1PR1DHODHPTPN1PPARGPPARD
SCHEMBL207959 0.83 RORC (0.49) S1PR1RXRARXRBRXRGDHODH
SCHEMBL205541 0.82 S1PR1 (0.51) S1PR1DHODHPTPN1S1PR4S1PR5
SCHEMBL10190510 0.82 S1PR1 (0.53) S1PR1DHODHPTPN1PPARGPPARD
SCHEMBL205994 0.80 S1PR1 (0.43) S1PR1DHODHPTPN1PPARGALDH1A1

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 1259/4885RXRA 2387/4885RXRB 2327/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885RXRA 2387/4885RXRB 2327/4885

“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.