Sugi Predict

Sugi Predict / Compounds / SCHEMBL17620672

SCHEMBL17620672

SCHEMBL17620672

CC(C)(C)C1CCc2c(sc3nc(C(=O)NS(C)(=O)=O)cn23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.36
▸ MAPT P10636 7/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ ANO1 Q5XXA6 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL17620691 0.85 ALDH1A1 (0.35) TP53MAPTKDM4EGAANPSR1
SCHEMBL17620861 0.84 MAPT (0.37) TP53MAPTKDM4EGAANPSR1
SCHEMBL17620984 0.83 MAPT (0.40) TP53MAPTKDM4EGAANPSR1
SCHEMBL17621019 0.83 HPGD (0.40) TP53MAPTKDM4EGAANPSR1
SCHEMBL17621026 0.82 MAPT (0.45) TP53MAPTKDM4EGAANPSR1
SCHEMBL17620676 0.80 PTGER4 (0.36) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17621023 0.78 GAA (0.40) TP53MAPTKDM4EGAANPSR1
SCHEMBL17620674 0.74 MAPT (0.46) TP53MAPTKDM4EGAANPSR1
SCHEMBL17620673 0.73 FABP4 (0.34) TP53MAPTGAAALDH1A1SMN1; SMN2
SCHEMBL17620670 0.73 OGFRL1 (0.32) —

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 5 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 claimed
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-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
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 TP53 40/4885MAPT 16/4885KDM4E 3946/4885
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 TP53 40/4885MAPT 16/4885KDM4E 3946/4885

“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.