SCHEMBL20030485

SCHEMBL20030485

CC(CO)CC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.37
TSHR P16473 2/20 0.35
CTSL P07711 4/20 0.33
CTSB P07858 4/20 0.33
CTSH P09668 3/20 0.33
LTA4H P09960 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL27991241 1.00 CTSK (0.37) CTSKTSHRCTSLCTSBCTSH
SCHEMBL12631778 0.98 CTSK (0.39) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL6156682 0.98 CTSK (0.39) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL14261875 0.98 CTSK (0.39) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL18125093 0.90
SCHEMBL4284276 0.90
SCHEMBL14928915 0.90
SCHEMBL114230 0.87 CTSK (0.35) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL15662421 0.83 TSHR (0.36) TSHR
SCHEMBL3155857 0.81 CYP1A2 (0.40) CTSKCTSLCTSBCTSHLTA4H

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-10570115-B2 Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-02-25 US disclosed
US-20180093969-A1 Modulator of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator VERTEX PHARMACEUTICALS INCORPORATED 2018-04-05 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-10570115-B2 Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator CFTR, SLC26A4, ABCB11 CTSK 2230/4885TSHR 1168/4885CTSL 2359/4885
US-20180093969-A1 Modulator of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator CFTR, SLC26A4, ABCB11 CTSK 2230/4885TSHR 1168/4885CTSL 2359/4885

“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.