SCHEMBL19618191

SCHEMBL19618191

CCCCCCC(C)(/C=C1/SC(=O)NC1=O)CC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 10/20 0.39
▸ PIM2 Q9P1W9 9/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ PTPN1 P18031 1/20 0.36
▸ HPGD P15428 4/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CISD1 Q9NZ45 1/20 0.35
▸ AKR1B1 P15121 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 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
SCHEMBL29337052 0.94 PIM1 (0.41) PIM1PIM2IGF1RPTPN1HPGD
SCHEMBL18879276 0.85 PIM1 (0.41) PIM1PIM2IGF1RPTPN1HPGD
SCHEMBL19779055 0.82 PIM1 (0.45) PIM1PIM2IGF1RHPGDPTGS1
SCHEMBL19726972 0.75 PIM1 (0.45) PIM1PIM2IGF1RHPGDPTGS1
SCHEMBL679773 0.72 PIM1 (0.45) PIM1PIM2IGF1RPTPN1HPGD
SCHEMBL679833 0.72 PIM1 (0.45) PIM1PIM2IGF1RPTPN1HPGD
SCHEMBL678088 0.72 PIM1 (0.45) PIM1PIM2IGF1RPTPN1HPGD
SCHEMBL678089 0.72 PIM1 (0.45) PIM1PIM2IGF1RPTPN1HPGD
SCHEMBL679789 0.72 PIM1 (0.45) PIM1PIM2IGF1RPTPN1HPGD
SCHEMBL679033 0.72 PIM1 (0.45) PIM1PIM2IGF1RPTPN1HPGD

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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 — — US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 — — 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 (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-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIM1 393/4885PIM2 489/4885IGF1R 1007/4885

“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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