SCHEMBL19658140

SCHEMBL19658140

CCCC(=O)N([C@@H](C)CC)[C@@H](C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ FFAR3 O14843 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ AKR1A1 P14550 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CES2 O00748 1/20 0.31

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
SCHEMBL4147215 0.86 CES2 (0.38) HDAC1HDAC2FFAR3HDAC3HDAC8
SCHEMBL14229266 0.77 CHRNB2 (0.32) HDAC1HDAC2FFAR3HDAC3HDAC8
SCHEMBL14229466 0.76 CHRNB2 (0.32) HDAC1HDAC2CHRM1AKR1A1CHRM3
SCHEMBL8418909 0.73 GPR84 (0.48) ALDH1A1TDP1CES2CES1
SCHEMBL13638096 0.73 CHRNB2 (0.42) ALDH1A1
SCHEMBL6137839 0.72 HDAC1 (0.37) HDAC1HDAC2FFAR3HDAC3HDAC8
SCHEMBL4147316 0.72 TDP1 (0.32) FFAR3ALDH1A1TDP1
SCHEMBL2035630 0.72 CES2 (0.41) HDAC1HDAC2FFAR3HDAC3HDAC8
SCHEMBL19657931 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14229910 0.72 CA2 (0.35) TP53ALDH1A1CA2MAPK1TDP1

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-20170342085-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-11-30 — — 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-20170342085-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 HDAC1 1871/4885HDAC2 2579/4885FFAR3 4787/4885

“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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