SCHEMBL21551408

SCHEMBL21551408

CCC(CCN1CCN(C(=O)O)CC1)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CYP2C19 P33261 2/20 0.44
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 3/20 0.34
FAAH O00519 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL21551184 0.82 CA1 (0.45) CA1CA2CYP2C19USP2ALDH1A1
SCHEMBL21551473 0.80 CA1 (0.49) CA1CA2CYP2C19USP2ALDH1A1
SCHEMBL4315666 0.73 PIK3CD (0.46) CYP2C19ALDH1A1KDM4ESMN1; SMN2
SCHEMBL22320488 0.73 PIK3CD (0.41) CYP2C19ALDH1A1CYP3A4CYP2D6FAAH
SCHEMBL21052458 0.72 CA2 (0.75) CA1CA2USP2KMT2ATSHR
SCHEMBL4319439 0.70 HRH3 (0.47) CYP2C19ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2185304 0.70 CA2 (0.47) CA2CYP2C19USP2ALDH1A1MAPK1
SCHEMBL17847599 0.70 SMN1; SMN2 (0.54) ALDH1A1KMT2ATSHRMEN1KDM4E
SCHEMBL3052320 0.70 HSD11B1 (0.55) KMT2AKDM4E
SCHEMBL17617129 0.68 CA2 (0.76) CA1CA2USP2CYP3A4KMT2A

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 CA1 4140/4885CA2 3322/4885CYP2C19 902/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 CA1 4140/4885CA2 3322/4885CYP2C19 902/4885

“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.