SCHEMBL14185049

SCHEMBL14185049

COC(=O)CCCCCCCCCCCSc1ncnc2[nH]cnc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.44
▸ PAK1 Q13153 1/20 0.40
▸ GBA1 P04062 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HPRT1 P00492 1/20 0.35
▸ NOTUM Q6P988 3/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 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
SCHEMBL6747960 1.00 SLC6A5 (0.44) SLC6A5PAK1GBA1TSHRRAB9A
SCHEMBL6751763 0.88 TP53 (0.42) SLC6A5PAK1TSHRMEN1KMT2A
SCHEMBL14185050 0.86 SLC6A5 (0.58) SLC6A5PAK1TSHRRAB9AALDH1A1
SCHEMBL6747965 0.83 PAK1 (0.62) PAK1TSHRRAB9AALDH1A1NPC1
SCHEMBL10925300 0.80 PAK1 (0.61) SLC6A5PAK1RAB9AALDH1A1NPC1
SCHEMBL10927535 0.80 PAK1 (0.61) SLC6A5PAK1RAB9AALDH1A1NPC1
SCHEMBL1725582 0.79 PAK1 (0.62) SLC6A5PAK1RAB9AALDH1A1NPC1
SCHEMBL13401493 0.78 SLC6A5 (0.47) SLC6A5TSHRRAB9AALDH1A1NPC1
SCHEMBL9999637 0.77 PAK1 (0.46) SLC6A5PAK1TSHRRAB9ANPC1
SCHEMBL2118555 0.74 PAK1 (0.48) PAK1TSHRRAB9AALDH1A1NPC1

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-20080103110-A1 Compounds DRUG DISCOVERY LABORATORY AS (NO) 2008-05-01 — — US disclosed
US-20080103110-A1 Compounds DRUG DISCOVERY LABORATORY AS (NO) 2008-05-01 — — US disclosed
US-20070259889-A1 Protein Binding Compounds DRUG DISCOVERY LABORATORY AS (NO) 2007-11-08 — — US disclosed
US-20070259889-A1 Protein Binding Compounds DRUG DISCOVERY LABORATORY AS (NO) 2007-11-08 — — US 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-20070259889-A1 Protein Binding Compounds FABP1, FABP3, FABP2 SLC6A5 4421/4885PAK1 1205/4885GBA1 3293/4885
US-20080103110-A1 Compounds ATIC, CDA, PAICS SLC6A5 3513/4885PAK1 2906/4885GBA1 1444/4885

“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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