SCHEMBL3033503

SCHEMBL3033503

COC(=O)C1(NC(=O)c2ccc(Cl)s2)CC2OC2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
MAPK1 P28482 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 6/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 5/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CCR6 P51684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3028244 0.87 KMT2A (0.42) KMT2ASMN1; SMN2MAPK1LMNAMEN1
SCHEMBL2570050 0.86 HPGD (0.43) KMT2ASMN1; SMN2MAPK1LMNAMEN1
SCHEMBL3027840 0.82 KMT2A (0.44) KMT2ASMN1; SMN2MAPK1LMNAMEN1
SCHEMBL2566849 0.81 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2MAPK1LMNAMEN1
SCHEMBL13012386 0.79 KMT2A (0.42) KMT2ASMN1; SMN2MAPK1LMNAMEN1
SCHEMBL13012380 0.79 KMT2A (0.42) KMT2ASMN1; SMN2MAPK1LMNAMEN1
SCHEMBL2570052 0.78 DAO (0.40) KMT2ASMN1; SMN2MAPK1LMNAMEN1
SCHEMBL2567760 0.70 POLB (0.43) KMT2ASMN1; SMN2MAPK1LMNAMEN1
SCHEMBL5111694 0.68 DAO (0.46) KMT2ASMN1; SMN2MAPK1LMNAMEN1
SCHEMBL2566642 0.67 HPGD (0.42) KMT2ASMN1; SMN2MAPK1LMNAMEN1

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 2973/4885SMN1; SMN2 3359/4885MAPK1 2324/4885
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 KMT2A 2883/4885SMN1; SMN2 3286/4885MAPK1 2507/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 KMT2A 2883/4885SMN1; SMN2 3286/4885MAPK1 2507/4885

“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.