SCHEMBL17846111

SCHEMBL17846111

O=C(O)NC(c1ccccc1)C(O)CCCOC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A3 Q01959 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
HPGD P15428 3/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL17846053 0.80 MEN1 (0.49) MEN1KMT2ASLC6A3TDP1KDM4C
SCHEMBL17844771 0.79 MEN1 (0.46) MEN1KMT2ASLC6A3TDP1KDM4C
SCHEMBL21886902 0.78 SLC6A3 (0.53) MEN1KMT2ASLC6A3TDP1KDM4C
SCHEMBL21886901 0.77 MEN1 (0.49) MEN1KMT2ASLC6A3TDP1KDM4C
SCHEMBL17846126 0.77 MEN1 (0.47) MEN1KMT2ASLC6A3TDP1KDM4C
SCHEMBL9860360 0.77 MEN1 (0.54) MEN1KMT2ASLC6A3TDP1KDM4C
SCHEMBL17845985 0.77 SLC6A3 (0.41) MEN1KMT2ASLC6A3TDP1KDM4C
SCHEMBL22504269 0.76 KMT2A (0.52) MEN1KMT2ASLC6A3TDP1KDM4C
SCHEMBL21374326 0.75 MEN1 (0.49) MEN1KMT2ASLC6A3TDP1KDM4C
SCHEMBL19348991 0.75 MEN1 (0.44) MEN1KMT2ASLC6A3TDP1KDM4C

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
EP-3233859-B1 BRIDGED PYRAZOLOPYRIDINE DERIVATIVES AS ERK INHIBITORS USEFUL FOR THE TREATEMENT OF CANCER MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-9988397-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
EP-3233859-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170267695-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016100051-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 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 (1 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-20170267695-A1 ERK INHIBITORS MAPK1, MAP3K1, MAPK4 MEN1 1248/4885KMT2A 1567/4885SLC6A3 3477/4885

“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.