Sugi Predict

Sugi Predict / Compounds / SCHEMBL17620671

SCHEMBL17620671

SCHEMBL17620671

CC1(C)CCCc2c1sc1nc(C(=O)O)cn21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ PTGER1 P34995 2/20 0.31
▸ GAA P10253 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ FABP4 P15090 2/20 0.30
▸ FABP5 Q01469 2/20 0.30
▸ EEF2K O00418 1/20 0.30

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
SCHEMBL17620687 0.83 GAA (0.42) NPC1ALDH1A1MAPTRAB9AKMT2A
SCHEMBL17620972 0.76 — —
SCHEMBL17620987 0.75 ALDH1A1 (0.56) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL17621010 0.74 FABP4 (0.39) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL17620989 0.74 FABP4 (0.38) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL17620669 0.74 NPC1 (0.33) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL17620969 0.73 ALDH1A1 (0.55) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL17620959 0.73 CFTR (0.32) —
SCHEMBL17621011 0.72 NPC1 (0.33) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL20518804 0.71 ALDH1A1 (0.35) NPC1ALDH1A1TP53MAPTRAB9A

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 6 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-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 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 NPC1 2457/4885ALDH1A1 993/4885TP53 40/4885
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 NPC1 2457/4885ALDH1A1 993/4885TP53 40/4885

“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.