SCHEMBL17620862

SCHEMBL17620862

CC1(C)C2Cc3c(sc4nc(C(=O)O)cn34)C21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
S1PR1 P21453 4/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17620972 0.72
SCHEMBL17621010 0.70 FABP4 (0.39) ALDH1A1TSHRRAB9A
SCHEMBL17620989 0.70 FABP4 (0.38) ALDH1A1TSHRRAB9A
SCHEMBL17620671 0.70 NPC1 (0.33) ALDH1A1TSHRRAB9A
SCHEMBL17620669 0.70 NPC1 (0.33) ALDH1A1TSHRRAB9A
SCHEMBL17620959 0.69 CFTR (0.32)
SCHEMBL17621011 0.68 NPC1 (0.33) ALDH1A1TSHRRAB9A
SCHEMBL17620987 0.65 ALDH1A1 (0.56) ALDH1A1LMNAHPGDTSHRRAB9A
SCHEMBL17620984 0.65 MAPT (0.40) ALDH1A1LMNAHPGDRAB9A
SCHEMBL20518804 0.65 ALDH1A1 (0.35) ALDH1A1HPGDTSHRRAB9AHSD17B10

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 HCAR2 1367/4885S1PR1 1950/4885S1PR5 2420/4885

“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.