SCHEMBL208912

SCHEMBL208912

FC(F)(F)c1cc(Nc2nc(-c3cccnc3)cs2)ccc1OCCCc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 11/20 0.49
KMT2A Q03164 11/20 0.49
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
MAPK1 P28482 2/20 0.47
PKM P14618 2/20 0.46
KIT P10721 3/20 0.46
GAA P10253 3/20 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
SCHEMBL207302 0.89 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL207221 0.88 MEN1 (0.52) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL206242 0.87 RAB9A (0.52) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL207156 0.86 MEN1 (0.61) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL204452 0.85 MEN1 (0.57) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL207684 0.85 MEN1 (0.49) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL4216468 0.85 MEN1 (0.50) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL208317 0.85 RAB9A (0.51) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL206853 0.85 MEN1 (0.56) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL206666 0.85 MEN1 (0.56) ALDH1A1MEN1KMT2ARAB9ANPC1

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 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.