SCHEMBL24908841

SCHEMBL24908841

COC(=O)[C@@H](N)CCN(C)CC(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
BHMT Q93088 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL23849153 0.79 LTA4H (0.46) LTA4HCHRNB2CHRNB4CHRNA4KMT2A
SCHEMBL25184306 0.79 LTA4H (0.46) LTA4HCHRNB2CHRNB4CHRNA4KMT2A
SCHEMBL2446304 0.78 LTA4H (0.41) LTA4HCHRNB2CHRNA4MEN1KMT2A
SCHEMBL4603026 0.78 LTA4H (0.41) LTA4HCHRNB2CHRNA4MEN1KMT2A
SCHEMBL2443555 0.78 PIK3CD (0.40) LTA4HBHMTCHRNB2CHRNB4CHRNA4
Hydrochloric Acid SCHEMBL2445583 0.77 LTA4H (0.40) LTA4HCHRNB2CHRNA4MEN1KMT2A
Hydrochloric Acid SCHEMBL2445581 0.77 LTA4H (0.40) LTA4HCHRNB2CHRNA4MEN1KMT2A
Hydrochloric Acid SCHEMBL2443556 0.77 MEN1 (0.39) LTA4HCHRNB2CHRNB4CHRNA4MEN1
Hydrochloric Acid SCHEMBL2443554 0.77 MEN1 (0.39) LTA4HCHRNB2CHRNB4CHRNA4MEN1
SCHEMBL11776470 0.73 SMN1; SMN2 (0.42) LTA4H

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-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2023-01-26 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-20230028658-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS ITGB6, ITGAV, ITGA6 LTA4H 2249/4885BHMT 3878/4885CHRNB2 1027/4885

“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.