SCHEMBL16784841

SCHEMBL16784841

CC(CC(=O)S)C12CCC(CC1)C2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL17928403 0.84 ALDH1A1 (0.37) NPC1ALDH1A1EPHX2MEN1KMT2A
SCHEMBL11294325 0.68 TSHR (0.49) ALDH1A1
SCHEMBL21401948 0.68 SLC22A2 (0.36) NPC1ALDH1A1
SCHEMBL20002011 0.68 SLC22A2 (0.36) NPC1ALDH1A1
SCHEMBL2239665 0.68 SLC22A2 (0.36) NPC1ALDH1A1
SCHEMBL191884 0.67 GRIN2D (0.41)
SCHEMBL9799212 0.67 NPC1 (0.33) NPC1ALDH1A1
SCHEMBL3068629 0.66 KMT2A (0.31) ALDH1A1KMT2A
SCHEMBL9298866 0.66 MEN1 (0.35) MEN1KMT2A
SCHEMBL20042215 0.65 SMN1; SMN2 (0.34)

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-20150191468-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2015-07-09 US disclosed
US-9051319-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 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-20150191468-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, RNASEH1, ACE2 NPC1 1578/4885ALDH1A1 3087/4885EPHX2 4389/4885

“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.