SCHEMBL8309477

SCHEMBL8309477

CCNC(=O)SCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
FFAR3 O14843 1/20 0.39
HDAC11 Q96DB2 6/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KDM4E B2RXH2 1/20 0.35
KDM5C P41229 1/20 0.35

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
SCHEMBL14776802 0.84 GPR84 (0.47) TSHRTDP1KMT2AHSD17B10LMNA
SCHEMBL27271477 0.79
SCHEMBL8310501 0.77 HDAC3 (0.46) KMT2AHSD17B10HDAC3HDAC1HDAC2
SCHEMBL17724885 0.77
SCHEMBL9679774 0.76
SCHEMBL4878677 0.76 ALDH1A1 (0.50) TDP1HSD17B10LMNAHDAC3HDAC1
SCHEMBL8801947 0.76
SCHEMBL28607111 0.75 ALDH1A1 (0.41) TSHRCYP1A2TDP1KMT2AHSD17B10
SCHEMBL9420088 0.74
SCHEMBL8307853 0.72 TSHR (0.42) TSHRCYP1A2TDP1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576502-B1 NOVEL CHELATOR AND USE THEREOF CYTIVA BIOPROCESS R & D AB (SE) 2020-08-05 EP disclosed
EP-2576502-B1 NOVEL CHELATOR AND USE THEREOF CYTIVA BIOPROCESS R & D AB (SE) 2020-08-05 EP disclosed
US-10662261-B2 Chelator and use thereof GE HEALTHCARE BIOPROCESS R&D AB (SE) 2020-05-26 US disclosed
US-10662261-B2 Chelator and use thereof GE HEALTHCARE BIOPROCESS R&D AB (SE) 2020-05-26 US disclosed
US-20180223003-A1 Novel Chelator and Use Thereof CYTIVA BIOPROCESS R&D AB (SE) 2018-08-09 US disclosed
US-20180223003-A1 Novel Chelator and Use Thereof CYTIVA BIOPROCESS R&D AB (SE) 2018-08-09 US disclosed
US-20180223003-A1 Novel Chelator and Use Thereof CYTIVA BIOPROCESS R&D AB (SE) 2018-08-09 US disclosed
US-9944722-B2 Chelator and use thereof GE HEALTHCARE BIOPROCESS R&D AB (SE) 2018-04-17 US disclosed
US-9944722-B2 Chelator and use thereof GE HEALTHCARE BIOPROCESS R&D AB (SE) 2018-04-17 US disclosed
US-9944722-B2 Chelator and use thereof GE HEALTHCARE BIOPROCESS R&D AB (SE) 2018-04-17 US disclosed
US-20130072638-A1 NOVEL CHELATOR AND USE THEREOF GE HEALTHCARE BIO-SCIENCES AB (SE) 2013-03-21 US disclosed
US-20130072638-A1 NOVEL CHELATOR AND USE THEREOF GE HEALTHCARE BIO-SCIENCES AB (SE) 2013-03-21 US disclosed
US-20130072638-A1 NOVEL CHELATOR AND USE THEREOF GE HEALTHCARE BIO-SCIENCES AB (SE) 2013-03-21 US disclosed
WO-2011152782-A1 NOVEL CHELATOR AND USE THEREOF GE HEALTHCARE BIO-SCIENCES AB (SE) 2011-12-08 WO disclosed
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP 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-20180223003-A1 Novel Chelator and Use Thereof SPR, ATIC, PHPT1 TSHR 637/4885CYP1A2 4755/4885TDP1 2755/4885
US-10662261-B2 Chelator and use thereof ATIC, PHPT1, ADA TSHR 1084/4885CYP1A2 4771/4885TDP1 2302/4885

“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.