SCHEMBL17149486

SCHEMBL17149486

CCN(CCC(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.40
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
ALDH1A1 P00352 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 1/20 0.33
ALDH2 P05091 1/20 0.33
NAMPT P43490 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SSTR4 P31391 1/20 0.32
HDAC3 O15379 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
GAA P10253 1/20 0.31
PAOX Q6QHF9 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 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
SCHEMBL3975488 0.87 CA14 (0.42) CA14HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL15370926 0.87 CA14 (0.39) CA14HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL18597221 0.85 ALDH1A1 (0.49) CA14HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL18052199 0.84 CA14 (0.39) CA14HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL10267170 0.82 CA12 (0.43) CA14HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL24072540 0.82 KMT2A (0.44) CA14HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL1962792 0.82 MEN1 (0.45) CA14HDAC6HDAC1HDAC2CA12
SCHEMBL5786967 0.82 CA12 (0.37) CA14HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL12665096 0.82 CA14 (0.48) CA14HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL4164699 0.81 CA14 (0.41) CA14HDAC6HDAC1HDAC2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-04-28 US disclosed
US-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2019-07-11 US disclosed
EP-1763351-B1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2016-11-30 EP disclosed
WO-2015154023-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX DISCOVERY, INC. (US) 2015-10-08 WO 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-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B CA14 4551/4885HDAC6 20/4885HDAC1 267/4885
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 CA14 4481/4885HDAC6 18/4885HDAC1 199/4885

“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.