SCHEMBL21626322

SCHEMBL21626322

C=CCOC(=O)CCC(=O)CP(=O)(OC)OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.31
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11239793 0.84 TSHR (0.44) TSHRPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL14706209 0.78 ALDH1A1 (0.39) ALDH1A1LMNA
Phosphoric Acid SCHEMBL27674703 0.77 TSHR (0.55) TSHRPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL56403 0.76 TSHR (0.63) TSHRPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10595435 0.75 TSHR (0.59) TSHRPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8816347 0.75 TSHR (0.58) TSHRPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10895521 0.75 ALDH1A1 (0.44) TSHRSMN1; SMN2ALDH1A1LMNACYP3A4
Ammonia Solution, Strong SCHEMBL29207431 0.74 TSHR (0.61) TSHRPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28545578 0.74 TSHR (0.61) TSHRPKMSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9062792 0.73 TSHR (0.56) TSHRPKMSMN1; SMN2ALDH1A1L3MBTL1

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-11746111-B2 Siderophore conjugated pyrazolidinones, and analogues thereof YALE UNIVERSITY (US) 2023-09-05 US disclosed
US-11746111-B2 Siderophore conjugated pyrazolidinones, and analogues thereof YALE UNIVERSITY (US) 2023-09-05 US disclosed
US-11746111-B2 Siderophore conjugated pyrazolidinones, and analogues thereof YALE UNIVERSITY (US) 2023-09-05 US disclosed
WO-2020018929-A1 SIDEROPHORE CONJUGATED PYRAZOLIDINONES, AND ANALOGUES THEREOF YALE UNIVERSITY (US) 2020-01-23 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 (1 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-11746111-B2 Siderophore conjugated pyrazolidinones, and analogues thereof SLC40A1, HAMP, SLC39A11 TSHR 1286/4885PKM 1609/4885SMN1; SMN2 4140/4885

“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.