Vernolate

Vernolate

SCHEMBL16653294

CCCSC(=O)N(CCC)CCC.O=C1CCC(=O)N1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CRBN Q96SW2 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TP53 P04637 1/20 0.32

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
Vernolate SCHEMBL55115 0.82 TSHR (0.71) TSHRMAPK1ALDH1A1HPGDTDP1
Vernolate SCHEMBL8538253 0.82 TSHR (0.71) TSHRMAPK1ALDH1A1HPGDTDP1
SCHEMBL11180981 0.75 TSHR (0.59) TSHRMAPK1ALDH1A1HPGDTDP1
Vernolate SCHEMBL11547988 0.74 TSHR (0.59) TSHRMAPK1ALDH1A1HPGDTDP1
Vernolate SCHEMBL10749396 0.73 TSHR (0.57) TSHRMAPK1ALDH1A1HPGDTDP1
SCHEMBL10718303 0.71 TSHR (0.65) TSHRMAPK1ALDH1A1HPGDTDP1
S-Ethyl Dipropylcarbamothioate SCHEMBL8541416 0.68 TSHR (1.00) TSHRMAPK1ALDH1A1HPGDTDP1
S-Ethyl Dipropylcarbamothioate SCHEMBL66482 0.68 TSHR (1.00) TSHRMAPK1ALDH1A1HPGDTDP1
SCHEMBL21221408 0.68 TSHR (0.74) TSHRMAPK1ALDH1A1HPGDTDP1
SCHEMBL9420118 0.68 ALDH1A1 (0.49) TSHRMAPK1ALDH1A1HPGDTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190216895-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF LAUREN SCIENCES LLC (US) 2019-07-18 US disclosed
US-20160367678-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF LAUREN SCIENCES LLC (US) 2016-12-22 US disclosed
US-20150110875-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF LAUREN SCIENCES LLC (US) 2015-04-23 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 (3 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-20190216895-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF GFRA2, GFRA1, NGF TSHR 2965/4885MAPK1 1419/4885ALDH1A1 133/4885
US-20160367678-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF GFRA2, GFRA1, NGF TSHR 2742/4885MAPK1 1316/4885ALDH1A1 148/4885
US-20150110875-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF GFRA2, GFRA1, NGF TSHR 2921/4885MAPK1 1462/4885ALDH1A1 137/4885

“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.