SCHEMBL5147755

SCHEMBL5147755

O=C(ONNC(=S)c1ccccc1F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
ALOX12 P18054 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39
KAT6A Q92794 1/20 0.37

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
SCHEMBL5147500 0.74 ALDH1A1 (0.53) ALDH1A1MAPTNPC1HPGDCES2
Trifluoroacetic Acid SCHEMBL5147753 0.72 ALDH1A1 (0.47) ALDH1A1MAPTNPC1HPGDCES2
SCHEMBL5147818 0.72 LMNA (0.46) ALDH1A1MAPTNPC1HPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL27852892 0.68 KMT2A (0.56) ALDH1A1MAPTNPC1HPGDSMN1; SMN2
SCHEMBL1924959 0.67 PTPN1 (0.61) ALDH1A1MAPTNPC1HPGDCES2
SCHEMBL29668746 0.67 CES1 (0.60) ALDH1A1MAPTNPC1HPGDSMN1; SMN2
SCHEMBL361933 0.67 CES1 (0.60) ALDH1A1MAPTNPC1HPGDSMN1; SMN2
SCHEMBL29930913 0.65 KMT2A (0.67) ALDH1A1MAPTNPC1HPGDSMN1; SMN2
SCHEMBL513707 0.65 KMT2A (0.67) ALDH1A1MAPTNPC1HPGDSMN1; SMN2
SCHEMBL8512564 0.65 CA2 (0.36) ALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112044-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-17 US disclosed
EP-1671957-A1 THIADIAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-06-21 EP 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 (1 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-20070112044-A1 Thiadiazoline derivative TLK2, TLK1, BRWD1 ALDH1A1 278/4885MAPT 4054/4885NPC1 3547/4885

“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.