SCHEMBL17609898

SCHEMBL17609898

NC(=S)Nc1cccc(OC(F)(F)F)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CFD P00746 10/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MPL P40238 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL30142030 0.89 L3MBTL1 (0.49) L3MBTL1CYP2C9GAAKDM4EMEN1
SCHEMBL5521725 0.89 L3MBTL1 (0.49) L3MBTL1CYP2C9GAAKDM4EMEN1
SCHEMBL31389658 0.83 L3MBTL1 (0.47) L3MBTL1CYP2C9GAAKDM4EMEN1
SCHEMBL29177412 0.79 GAA (0.44) CFDCYP2C9GAAMEN1KMT2A
SCHEMBL12480284 0.78 ANO1 (0.47) L3MBTL1CFDCYP2C9GAAMAPT
SCHEMBL21893894 0.75 MPL (0.41) CFDMPLGAA
SCHEMBL5464387 0.74 L3MBTL1 (0.50) L3MBTL1CYP2C9GAAKDM4EMEN1
SCHEMBL29838495 0.74 L3MBTL1 (0.50) L3MBTL1CYP2C9GAAKDM4EMEN1
Hydrochloric Acid SCHEMBL28093603 0.73 MPL (0.40) CFDMPLGAAKDM4E
SCHEMBL13712 0.73 GAA (0.55) GAAKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2019-08-20 — — US disclosed
US-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-10-04 — — US disclosed
CN-107466296-A Imidazo [2,1 b] thiazole and 5,6 glyoxalidine as S100 inhibitor simultaneously [2,1 b] thiazole 活跃生物技术有限公司 2017-12-12 — — CN disclosed
WO-2016042172-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-03-24 — — WO 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-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS S100B, S100P, S100A4 L3MBTL1 4118/4885CFD 4774/4885CYP2C9 4233/4885
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 L3MBTL1 4118/4885CFD 4774/4885CYP2C9 4233/4885

“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.

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