SCHEMBL5137869

SCHEMBL5137869

N[C@H](C=O)CSSC[C@H](N)C=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL12851469 1.00 CYP3A4 (0.32) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL17449732 1.00 CYP3A4 (0.32) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL10331496 0.85 TRPA1 (0.50) CYP3A4SMN1; SMN2
SCHEMBL21067332 0.83 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL23627794 0.82 ARG1 (0.40) PMP22
SCHEMBL4782837 0.82 ARG1 (0.40) PMP22
SCHEMBL15024999 0.82 ARG1 (0.40) PMP22
SCHEMBL20431198 0.80
SCHEMBL24295875 0.80 NOS2 (0.32)
SCHEMBL41166 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023151596-A1 APTAMERS SPECIFIC TO EBV-ASSOCIATED MALIGNANCIES AND THEIR APPLICATIONS IN CANCER IMAGING AND THERAPIES THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-08-17 WO claimed
WO-2023151596-A1 APTAMERS SPECIFIC TO EBV-ASSOCIATED MALIGNANCIES AND THEIR APPLICATIONS IN CANCER IMAGING AND THERAPIES THE CHINESE UNIVERSITY OF HONG KONG (CN) 2023-08-17 WO disclosed
US-20210169970-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR PATHWAY-ASSOCIATED DISORDERS CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2021-06-10 US disclosed
EP-2979703-B1 USE OF MELANOCORTINS TO TREAT INSULIN SENSITIVITY IPSEN PHARMA SAS (FR) 2018-07-18 EP disclosed
US-20180118784-A1 MELANOCORTIN RECEPTOR LIGANDS MODIFIED WITH HYDANTOIN IPSEN PHARMA S.A.S. (FR) 2018-05-03 US disclosed
US-20080214590-A1 Zalcitabine (Ddc) Boosted Lamivudine (3Tc) Compositions for Antiretroviral Therapy TOMA EMIL 2008-09-04 US disclosed
WO-2007012177-A1 ZALCITABINE (DDC) BOOSTED LAMIVUDINE (3TC) COMPOSITIONS FOR ANTIRETROVIRAL THERAPY TOMA EMIL (CA) 2007-02-01 WO disclosed
WO-1999029702-A2 METHOD FOR SYNTHESIZING 9-(2,3-DIDEOXY-2-FLUORO-β-D-THREO-PENTOFURANOSYL)ADENINE (β-FddA) THE GOVERNMENT OF THE UNITED STATES OF AMERICA REPPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-06-17 WO disclosed
US-4971977-A Anti-viral pharmaceutical compositions SIMES- SOCIETA ITALIANA MEDICINALI E SINTETICI-S.R.L." 1990-11-20 US 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-20210169970-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR PATHWAY-ASSOCIATED DISORDERS MC4R, MC5R, MC3R CYP3A4 2234/4885CYP2D6 3084/4885TSHR 198/4885
US-20180118784-A1 MELANOCORTIN RECEPTOR LIGANDS MODIFIED WITH HYDANTOIN MC4R, MC3R, MC1R CYP3A4 1997/4885CYP2D6 2475/4885TSHR 341/4885

“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.