SCHEMBL17845985

SCHEMBL17845985

O=C(NC(c1ccccc1)C(O)COC1CCCCO1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
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
PTGER4 P35408 1/20 0.35
LMNA P02545 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL17845968 0.83 SLC6A3 (0.36) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL19361667 0.78 MEN1 (0.34) MEN1KMT2A
SCHEMBL17846111 0.77 MEN1 (0.48) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL17844743 0.76 MEN1 (0.40) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL17844317 0.75 MEN1 (0.43) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL17835751 0.75 MEN1 (0.43) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL17845984 0.71 MEN1 (0.38) SLC6A3MEN1KMT2ATDP1KDM4C
SCHEMBL8319743 0.70 KDM4C (0.42) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL10394025 0.69 MEN1 (0.39) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL7645416 0.68 SLC6A3 (0.46) SLC6A3MEN1KMT2ATDP1EP300

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 SLC6A3 3477/4885MEN1 1248/4885KMT2A 1567/4885

“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.