SCHEMBL21164291

SCHEMBL21164291

CC(=O)NC[C@@H]1C[C@H](O)[C@@H](O)CO1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.44
MTNR1A P48039 3/20 0.42
ENGASE Q8NFI3 1/20 0.37
GLA P06280 1/20 0.35
BTK Q06187 2/20 0.31
CACNA1H O95180 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MTNR1B P49286 1/20 0.30
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2863034 0.78
SCHEMBL4663635 0.78
SCHEMBL13148363 0.75 ALDH1A1 (0.32)
SCHEMBL25083656 0.73 NPC1 (0.33)
SCHEMBL6933338 0.72 FUCA1 (0.39) FUCA1MTNR1AENGASEGLA
SCHEMBL16126994 0.71 ALDH1A1 (0.43)
SCHEMBL15837077 0.71 ALDH1A1 (0.43)
SCHEMBL31677770 0.71
SCHEMBL1870099 0.70 MTNR1A (0.47) FUCA1MTNR1AGLANPSR1MTNR1B
SCHEMBL19898809 0.70 MTNR1A (0.41) FUCA1MTNR1ABTKUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350310-B2 Indocyanine compound, synthesis method and purification method thereof, diagnostic composition using the indocyanine compound, and device for measuring biokinetics and device for visualizing circulation using the diagnostic composition NATIONAL UNIVERSITY CORPORATION MIE UNIVERSITY (JP) 2019-07-16 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 (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-10350310-B2 Indocyanine compound, synthesis method and purification method thereof, diagnostic composition using the indocyanine compound, and device for measuring biokinetics and device for visualizing circulation using the diagnostic composition GYS2, PYGL, GPR119 FUCA1 170/4885MTNR1A 4569/4885ENGASE 935/4885

“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.