SCHEMBL21551280

SCHEMBL21551280

COC(=O)NCC1(O)CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.34
TSHR P16473 1/20 0.34
CYP2D6 P10635 2/20 0.33
BRD4 O60885 1/20 0.32
KDM1A O60341 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRL1 P41146 2/20 0.31
OPRK1 P41145 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ENPP2 Q13822 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL21557896 0.82 GPR183 (0.38) SMYD3TSHRKDM1A
SCHEMBL21553784 0.80 USP2 (0.43) TSHRUSP2ALDH1A1EPHX1
SCHEMBL17317128 0.79 AVPR1A (0.33) SMYD3CYP2D6KDM1ACYP3A4
SCHEMBL26077337 0.77 BRD4 (0.44) TSHRBRD4
SCHEMBL18194984 0.77 USP2 (0.36) TSHRCYP2D6OPRM1OPRK1USP2
SCHEMBL17318890 0.77 TGM2 (0.35) SMYD3CYP2D6ALDH1A1CACNA1H
SCHEMBL17317168 0.76 CACNA1H (0.35) SMYD3CYP2D6OPRM1CYP3A4ALDH1A1
SCHEMBL12493241 0.76 KMT2A (0.34) SMYD3OPRM1KMT2A
SCHEMBL16365227 0.75 USP2 (0.38) TSHRUSP2EPHX1
SCHEMBL12493984 0.75 SLC6A2 (0.33) SMYD3CYP2D6CYP3A4ALDH1A1CACNA1H

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-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 US disclosed
EP-3790871-A1 FURIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-03-17 EP disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 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-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 SMYD3 4707/4885TSHR 3953/4885CYP2D6 2965/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 SMYD3 4707/4885TSHR 3953/4885CYP2D6 2965/4885

“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.