SCHEMBL205751

SCHEMBL205751

CCCCCCCCOc1ccc(Nc2nc(-c3cnc(NC(C)=O)c(C)c3)cs2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.46
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
MAPT P10636 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 3/20 0.39
MAPK1 P28482 2/20 0.39
SIRT5 Q9NXA8 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
HPGDS O60760 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL206208 0.88 S1PR1 (0.48) S1PR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL250514 0.87 SIRT5 (0.52) S1PR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL206703 0.86 S1PR1 (0.42) S1PR1PRMT5WDR77MEN1KMT2A
SCHEMBL206599 0.86 S1PR1 (0.44) S1PR1PRMT5WDR77MEN1KMT2A
SCHEMBL209460 0.85 MEN1 (0.47) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL204874 0.84 S1PR1 (0.47) S1PR1PRMT5WDR77MEN1KMT2A
SCHEMBL205425 0.84 S1PR1 (0.44) S1PR1PRMT5WDR77MEN1KMT2A
SCHEMBL207192 0.84 S1PR1 (0.47) S1PR1PRMT5WDR77MEN1KMT2A
SCHEMBL206476 0.83 S1PR1 (0.46) S1PR1PRMT5WDR77MEN1KMT2A
SCHEMBL208686 0.83 S1PR1 (0.46) S1PR1MEN1KMT2AMAPTNPC1

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 11 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-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 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 1259/4885PRMT5 1987/4885WDR77 2054/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885PRMT5 1987/4885WDR77 2054/4885

“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.