SCHEMBL250502

SCHEMBL250502

CCCCCCCCOc1ccc(Nc2nc(CN3CCC(O)CC3)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP2D6 P10635 1/20 0.54
SPHK1 Q9NYA1 2/20 0.48
S1PR5 Q9H228 4/20 0.45
MAPT P10636 3/20 0.43
SPHK2 Q9NRA0 1/20 0.42
CTPS1 P17812 1/20 0.42
NPC1 O15118 4/20 0.42
GAA P10253 3/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 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
SCHEMBL251744 0.94 SPHK1 (0.47) RAB9AMEN1KMT2AALDH1A1CYP2D6
SCHEMBL205512 0.91 HRH3 (0.45) RAB9AMEN1KMT2AALDH1A1CYP2D6
SCHEMBL250489 0.91 SPHK1 (0.45) RAB9AMEN1KMT2AALDH1A1CYP2D6
SCHEMBL2695458 0.89 S1PR5 (0.52) RAB9AALDH1A1S1PR5MAPTCTPS1
SCHEMBL251973 0.87 MAPT (0.52) RAB9AMEN1KMT2AALDH1A1CYP2D6
SCHEMBL206404 0.86 ALDH1A1 (0.48) RAB9AKMT2AALDH1A1MAPTNPC1
SCHEMBL207070 0.85 HRH3 (0.42) RAB9ASPHK1S1PR5MAPTCTPS1
SCHEMBL205781 0.85 NPC1 (0.41) RAB9AMEN1KMT2AALDH1A1SPHK1
SCHEMBL10190843 0.85 MAPT (0.46) RAB9AMEN1KMT2AALDH1A1S1PR5
SCHEMBL248468 0.84 SPHK1 (0.43) RAB9AMEN1KMT2AALDH1A1CYP2D6

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 RAB9A 1357/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 RAB9A 1357/4885MEN1 3862/4885KMT2A 3476/4885

“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.