SCHEMBL3028244

SCHEMBL3028244

COC(=O)C1(NC(=O)c2ccc(Cl)s2)CC(O)C(O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 5/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
F2 P00734 1/20 0.38
DAO P14920 1/20 0.38
MAPT P10636 2/20 0.37
NFKB1 P19838 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL3033503 0.87 KMT2A (0.40) KMT2AMAPK1LMNAMEN1KDM4E
SCHEMBL3027840 0.84 KMT2A (0.44) KMT2AMAPK1LMNAMEN1KDM4E
SCHEMBL2567760 0.80 POLB (0.43) KMT2AMAPK1LMNAMEN1KDM4E
SCHEMBL13012380 0.79 KMT2A (0.42) KMT2AMAPK1LMNAMEN1KDM4E
SCHEMBL13012386 0.79 KMT2A (0.42) KMT2AMAPK1LMNAMEN1KDM4E
SCHEMBL2570050 0.72 HPGD (0.43) KMT2AMAPK1LMNAMEN1KDM4E
SCHEMBL3023920 0.71 KMT2A (0.43) KMT2AMAPK1LMNAMEN1KDM4E
SCHEMBL2566849 0.70 SMN1; SMN2 (0.41) KMT2AMAPK1LMNAMEN1KDM4E
SCHEMBL5111694 0.70 DAO (0.46) KMT2AMAPK1LMNAMEN1KDM4E
SCHEMBL2572218 0.68 POLB (0.44) KMT2AMAPK1LMNAMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 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-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GNMT KMT2A 2973/4885MAPK1 2324/4885LMNA 2509/4885
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 KMT2A 2883/4885MAPK1 2507/4885LMNA 2832/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 KMT2A 2883/4885MAPK1 2507/4885LMNA 2832/4885

“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.