SCHEMBL1963123

SCHEMBL1963123

COc1ccc(CN2CC3(CCCN(C(=O)OC(C)(C)C)C3)C(=O)CC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP13 P45452 2/20 0.40
MMP2 P08253 1/20 0.40
MMP14 P50281 1/20 0.40
ADAM17 P78536 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 4/20 0.38

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
SCHEMBL24399159 0.90 ALDH1A1 (0.42) HDAC1HDAC8HDAC6ALDH1A1L3MBTL1
SCHEMBL12543528 0.89 HDAC1 (0.51) HDAC1HDAC8HDAC6ALDH1A1L3MBTL1
SCHEMBL30801697 0.88 HDAC1 (0.45) HDAC1HDAC8HDAC6ALDH1A1L3MBTL1
SCHEMBL5423537 0.85 HDAC1 (0.44) HDAC1HDAC8HDAC6ALDH1A1L3MBTL1
SCHEMBL17361113 0.85 USP30 (0.35) HDAC1HDAC8HDAC6ALDH1A1MMP13
SCHEMBL1963140 0.82 AADAT (0.49) ALDH1A1L3MBTL1GAACYP3A4HPGD
SCHEMBL1960250 0.81 HDAC1 (0.42) HDAC1HDAC8HDAC6ALDH1A1L3MBTL1
SCHEMBL17761442 0.79 HDAC1 (0.54) HDAC1HDAC8HDAC6ALDH1A1L3MBTL1
SCHEMBL17371377 0.78 USP30 (0.41) MAPTSMN1; SMN2MMP13MMP2MMP14
SCHEMBL22770534 0.77 ALDH1A1 (0.46) HDAC1HDAC8HDAC6ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159800-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2016-06-09 US disclosed
US-20160159800-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2016-06-09 US disclosed
US-9102676-B2 MK2 inhibitors MERCK SHARP & DOHME B.V. (NL) 2015-08-11 US disclosed
US-9102676-B2 MK2 inhibitors MERCK SHARP & DOHME B.V. (NL) 2015-08-11 US disclosed
US-20140288109-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2014-09-25 US disclosed
US-20140288109-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2014-09-25 US disclosed
US-8772286-B2 MK2 inhibitors MERCK SHARP & DOHME B.V. (NL) 2014-07-08 US disclosed
US-8772286-B2 MK2 inhibitors MERCK SHARP & DOHME B.V. (NL) 2014-07-08 US disclosed
EP-2513111-B1 MK2 INHIBITORS MERCK SHARP & DOHME (NL) 2013-10-02 EP disclosed
EP-2513111-A1 MK2 INHIBITORS MSD Oss B.V. (NL) 2012-10-24 EP disclosed
US-20120245175-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2012-09-27 US disclosed
US-20120245175-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2012-09-27 US disclosed
WO-2011073119-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2011-06-23 WO disclosed
WO-2011073119-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2011-06-23 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 (3 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-20140288109-A1 MK2 INHIBITORS MKNK2, MAPKAPK2, MAP3K2 HDAC1 141/4885HDAC8 479/4885HDAC6 152/4885
US-20160159800-A1 MK2 INHIBITORS MKNK2, MAPKAPK2, MAP3K2 HDAC1 179/4885HDAC8 602/4885HDAC6 187/4885
US-20120245175-A1 MK2 INHIBITORS MKNK2, MAPKAPK2, MAP3K2 HDAC1 141/4885HDAC8 479/4885HDAC6 152/4885

“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.