SCHEMBL22962011

SCHEMBL22962011

CC(C)c1cc(P)cc(C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.34
ALB P02768 2/20 0.34
FFAR4 Q5NUL3 1/20 0.33
MCL1 Q07820 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RORC P51449 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
SCHEMBL10880463 0.87 TTR (0.42) TTRALBFFAR4MCL1MEN1
SCHEMBL6667915 0.84 TTR (0.41) TTRALBFFAR4MCL1MEN1
SCHEMBL26002403 0.77 TTR (0.35) TTRALBFFAR4MCL1MEN1
SCHEMBL10204233 0.77 ALDH1A1 (0.39) TTRALBFFAR4MEN1KMT2A
SCHEMBL16960440 0.77 TTR (0.35) TTRALBFFAR4MCL1MEN1
SCHEMBL26345761 0.77 GABRA1 (0.37)
SCHEMBL19120276 0.77 TTR (0.40) TTRALBMEN1KMT2A
SCHEMBL25547481 0.77 GABRA1 (0.37)
SCHEMBL15958517 0.76 ALDH1A1 (0.42) RORC
SCHEMBL16960599 0.75 TTR (0.34) TTRALBFFAR4MCL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 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-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 TTR 1089/4885ALB 3218/4885FFAR4 597/4885

“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.