SCHEMBL16339447

SCHEMBL16339447

CN1C(=O)CCCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.44
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACE P12821 5/20 0.38
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL30813130 1.00 P2RX7 (0.44) P2RX7HDAC3HDAC1HDAC2HDAC10
SCHEMBL16339048 1.00 P2RX7 (0.44) P2RX7HDAC3HDAC1HDAC2HDAC10
SCHEMBL159149 0.88 ACE (0.47) P2RX7ACE
SCHEMBL1587617 0.88 ACE (0.47) P2RX7ACE
SCHEMBL1850331 0.88 ACE (0.47) P2RX7ACE
SCHEMBL647325 0.88 ACE (0.47) P2RX7ACE
SCHEMBL18212789 0.87 ACE (0.36) P2RX7HDAC3HDAC1HDAC2HDAC10
Ammonia Solution, Strong SCHEMBL11295703 0.86 ACE (0.46) P2RX7ACE
SCHEMBL13949150 0.84 P2RX7 (0.44) P2RX7HDAC3HDAC1HDAC2HDAC10
SCHEMBL17979454 0.76 ACE (0.45) ACEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103732577-B As effective hdac inhibitor carrying lactams thio derivative and they as medicine purposes 希格马托制药工业公司 2017-04-05 CN claimed
EP-2758371-B1 NEW THIO DERIVATIVES BEARING LACTAMS AS POTENT HDAC INHIBITORS AND THEIR USES AS MEDICAMENTS SIGMA TAU IND FARMACEUTI (IT) 2016-06-15 EP claimed
US-8927533-B2 Thio derivatives bearing lactams as potent HDAC inhibitors and their uses as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-01-06 US claimed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
EP-3911652-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS Biogen MA Inc. (US) 2021-11-24 EP disclosed
US-20210051963-A1 METHODS AND COMPOSITIONS TO IMPROVE PLANT HEALTH AND/OR PLANT PERFORMANCE Plant Response, Inc. 2021-02-25 US disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
CN-103732577-B As effective hdac inhibitor carrying lactams thio derivative and they as medicine purposes 希格马托制药工业公司 2017-04-05 CN disclosed
EP-2758371-B1 NEW THIO DERIVATIVES BEARING LACTAMS AS POTENT HDAC INHIBITORS AND THEIR USES AS MEDICAMENTS SIGMA TAU IND FARMACEUTI (IT) 2016-06-15 EP disclosed
US-8927533-B2 Thio derivatives bearing lactams as potent HDAC inhibitors and their uses as medicaments SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2015-01-06 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-20210051963-A1 METHODS AND COMPOSITIONS TO IMPROVE PLANT HEALTH AND/OR PLANT PERFORMANCE GET3, PAH, ITPA P2RX7 2289/4885HDAC3 1844/4885HDAC1 2339/4885
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 P2RX7 795/4885HDAC3 645/4885HDAC1 720/4885

“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.