SCHEMBL204772

SCHEMBL204772

CCCCCc1ccc(Nc2nc(-c3cccc(F)c3)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.55
CYP1A1 P04798 6/20 0.53
CYP1A2 P05177 6/20 0.53
CYP1B1 Q16678 6/20 0.53
NAMPT P43490 1/20 0.52
VCP P55072 1/20 0.50
MAPT P10636 4/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.47
NPY5R Q15761 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SPHK2 Q9NRA0 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
ALOX5 P09917 2/20 0.46

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
SCHEMBL205925 0.86 ALOX5 (0.62) SPHK1CYP1B1MAPTRAB9ASMN1; SMN2
SCHEMBL2706493 0.86 MEN1 (0.49) SPHK1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL206235 0.85 ALOX5 (0.60) SPHK1CYP1B1MAPTRAB9ASMN1; SMN2
SCHEMBL206863 0.85 ALOX5 (0.60) SPHK1CYP1B1MAPTRAB9ASMN1; SMN2
SCHEMBL2699240 0.83 VCP (0.46) SPHK1CYP1A1CYP1A2CYP1B1VCP
SCHEMBL1821986 0.83 ALOX5 (0.61) SPHK1CYP1A1CYP1A2CYP1B1NAMPT
SCHEMBL205667 0.83 AGER (0.55) CYP1B1VCPMAPTRAB9AMEN1
SCHEMBL206462 0.82 ALOX5 (0.46) NAMPTMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL205369 0.81 ALOX5 (0.64) SPHK1VCPMAPTMEN1KMT2A
SCHEMBL205189 0.81 MEN1 (0.66) VCPMAPTRAB9ASMN1; SMN2MEN1

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 SPHK1 3353/4885CYP1A1 212/4885CYP1A2 603/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SPHK1 3353/4885CYP1A1 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.