SCHEMBL205519

SCHEMBL205519

CCCCCOc1ccc(Nc2nc(-c3ccc(-c4ccccc4)s3)cs2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.44
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1B1 Q16678 2/20 0.42
MAPT P10636 5/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
STAT1 P42224 1/20 0.41
CFTR P13569 2/20 0.40
MCHR1 Q99705 1/20 0.40
ALOX5 P09917 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
RECQL P46063 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL206536 0.90 NPY5R (0.48) S1PR1CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL205899 0.90 NPY5R (0.48) S1PR1CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL2696254 0.87 ALDH1A1 (0.43) S1PR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL205398 0.86 S1PR1 (0.44) S1PR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL204099 0.86 CYP1A1 (0.50) S1PR1CYP1A1CYP1A2CYP1B1CFTR
SCHEMBL205460 0.86 MEN1 (0.50) S1PR1CYP1A2MAPTRAB9ANPC1
SCHEMBL251420 0.86 CFTR (0.56) S1PR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL2697856 0.86 VCP (0.54) S1PR1CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL2697512 0.86 CFTR (0.53) S1PR1CYP1A1CYP1A2CYP1B1MAPT
SCHEMBL2703731 0.85 S1PR1 (0.45) S1PR1MAPTALDH1A1MEN1KMT2A

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 5 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-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 1259/4885CYP1A1 212/4885CYP1A2 603/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885CYP1A1 212/4885CYP1A2 603/4885

“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.