SCHEMBL17620949

SCHEMBL17620949

CCN(CC)CCCS(=O)(=O)NC(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
GHSR Q92847 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
USP2 O75604 1/20 0.33
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
NSD2 O96028 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
PAOX Q6QHF9 1/20 0.32
CACNA2D1 P54289 3/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL10106473 0.77 HPGD (0.38) NPSR1NPC1MAPTRAB9ALMNA
SCHEMBL8906669 0.75 CA2 (0.44)
SCHEMBL19776090 0.74 CA2 (0.47)
SCHEMBL16000097 0.74 CA2 (0.47)
SCHEMBL17520384 0.74 CA2 (0.47)
SCHEMBL805360 0.72 ACACB (0.37)
SCHEMBL17771171 0.71 MEN1 (0.39) LMNAALDH1A1
SCHEMBL17620947 0.71 ATR (0.36)
SCHEMBL21236263 0.71 APP (0.41) LMNAALDH1A1
SCHEMBL7771896 0.71 MEN1 (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 2 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
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 (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-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 NPSR1 2748/4885GHSR 3477/4885HRH3 3391/4885

“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.