SCHEMBL14908440

SCHEMBL14908440

CCOC(=O)/C(C)=N/NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.36
CTSK P43235 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MIF P14174 1/20 0.35
GLO1 Q04760 1/20 0.34
PKM P14618 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
SCHEMBL10419104 0.84 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL9523119 0.84 MAPT (0.75) MAPTRAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL30645094 0.82 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL30645091 0.82 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL25037571 0.80 MAPT (0.39) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL2158727 0.80 MAPT (0.39) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL16559311 0.80 MAPT (0.39) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL18625453 0.80 MAPT (0.39) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL18625454 0.80 MAPT (0.39) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL18644697 0.80 MAPT (0.39) MAPTRAB9ANPC1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822121-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
US-20160176884-A1 Process for Making Beta 3 Agonists and Intermediates MERCK SHARP & DOHME CORP. (US) 2016-06-23 US disclosed
US-20150087832-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME, CORP. (US) 2015-03-26 US disclosed
WO-2013062881-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES MERCK SHARP & DOHME CORP. (US) 2013-05-02 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 (2 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-20160176884-A1 Process for Making Beta 3 Agonists and Intermediates ADRB3, ADRB2, ADRB1 MAPT 2876/4885RAB9A 2300/4885NPC1 4251/4885
US-20150087832-A1 PROCESS FOR MAKING BETA 3 AGONISTS AND INTERMEDIATES ADRB3, ADRB2, ADRB1 MAPT 2876/4885RAB9A 2300/4885NPC1 4251/4885

“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.