SCHEMBL12543781

SCHEMBL12543781

CCOC(=O)C1(CN(Cc2ccc(OC)cc2)C(=O)CC(=O)OC)CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ ATM Q13315 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL1958682 0.87 RAB9A (0.42) RAB9ANPC1ATMALDH1A1MMP2
SCHEMBL24399168 0.85 LMNA (0.39) ALDH1A1KMT2AL3MBTL1LMNAMAPT
SCHEMBL12543290 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AL3MBTL1LMNAMAPT
SCHEMBL12543265 0.84 NPC1 (0.46) RAB9ANPC1ATMALDH1A1MMP2
SCHEMBL17361120 0.81 HSD11B1 (0.39) RAB9ANPC1ATMALDH1A1MMP2
SCHEMBL20987918 0.77 MMP2 (0.35) RAB9ANPC1ALDH1A1MMP2MMP13
SCHEMBL21301102 0.77 L3MBTL1 (0.43) RAB9ANPC1ATMALDH1A1MMP2
SCHEMBL6801124 0.76 KMT2A (0.58) RAB9ANPC1ATMALDH1A1KMT2A
SCHEMBL8878002 0.74 L3MBTL1 (0.61) RAB9ANPC1ALDH1A1KMT2AL3MBTL1
SCHEMBL24399484 0.74 ALDH1A1 (0.42) ALDH1A1KMT2AL3MBTL1LMNAMAPT

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 6 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-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-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
US-20120245175-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2012-09-27 — — 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 (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 RAB9A 1084/4885NPC1 1809/4885ATM 1600/4885
US-20160159800-A1 MK2 INHIBITORS MKNK2, MAPKAPK2, MAP3K2 RAB9A 1191/4885NPC1 1761/4885ATM 1587/4885
US-20120245175-A1 MK2 INHIBITORS MKNK2, MAPKAPK2, MAP3K2 RAB9A 1084/4885NPC1 1809/4885ATM 1600/4885

“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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