SCHEMBL30538860

SCHEMBL30538860

CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CNC1=O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 12/20 0.56
ROR1 Q01973 1/20 0.52
IDO1 P14902 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL21429006 1.00 TACR2 (0.56) TACR2ROR1IDO1HDAC3HDAC1
SCHEMBL31717765 0.90 ROR1 (0.52) TACR2ROR1HDAC3HDAC1HDAC8
SCHEMBL3120523 0.88 TACR2 (0.65) TACR2IDO1
SCHEMBL14952799 0.88 TACR2 (0.65) TACR2IDO1
SCHEMBL29701949 0.88 TACR2 (0.65) TACR2IDO1
SCHEMBL29701929 0.88 TACR2 (0.65) TACR2IDO1
SCHEMBL14952762 0.88 IDO1 (0.62) TACR2IDO1HDAC3HDAC1HDAC8
SCHEMBL29717101 0.88 IDO1 (0.62) TACR2IDO1HDAC3HDAC1HDAC8
SCHEMBL19479695 0.86 TACR2 (0.51) TACR2HDAC3HDAC1HDAC8
SCHEMBL29420247 0.85 KDM4A (0.56) ROR1

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-11713339-B2 Macrocyclization of peptidomimetics UNIVERSITY OF WARWICK (GB) 2023-08-01 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-11713339-B2 Macrocyclization of peptidomimetics NGLY1, MAX, PTMA TACR2 1556/4885ROR1 214/4885IDO1 710/4885

“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.