SCHEMBL205918

SCHEMBL205918

FC(F)(F)Oc1ccc(CNc2nc(-c3cccnc3)cs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
RAB9A P51151 5/20 0.55
MAPT P10636 4/20 0.55
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KIT P10721 2/20 0.50
NPY5R Q15761 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MAPK1 P28482 1/20 0.49
ROCK1 Q13464 1/20 0.48

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
SCHEMBL208924 0.89 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10RAB9AMAPT
SCHEMBL206156 0.84 ALDH1A1 (0.80) ALDH1A1HPGDHSD17B10RAB9AMAPT
SCHEMBL207443 0.83 MEN1 (0.70) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL206769 0.83 ALDH1A1 (0.90) ALDH1A1HPGDHSD17B10RAB9AMAPT
SCHEMBL207270 0.82 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10RAB9AMAPT
SCHEMBL211587 0.80 ALDH1A1 (0.69) ALDH1A1HPGDHSD17B10RAB9AMAPT
SCHEMBL211074 0.79 ALDH1A1 (0.78) ALDH1A1HPGDHSD17B10RAB9AMAPT
SCHEMBL204418 0.78 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10RAB9AMAPT
SCHEMBL206752 0.76 KIT (0.73) RAB9ANPC1KMT2AMEN1KIT
SCHEMBL205954 0.75 ALDH1A1 (0.84) ALDH1A1HPGDHSD17B10RAB9AMAPT

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 ALDH1A1 109/4885HPGD 2830/4885HSD17B10 686/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALDH1A1 109/4885HPGD 2830/4885HSD17B10 686/4885

“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.