SCHEMBL26857893

SCHEMBL26857893

CC(=O)[C@@H](N)CNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ EPHX2 P34913 1/20 0.48
▸ CASP3 P42574 2/20 0.46
▸ PIN1 Q13526 1/20 0.43
▸ BMP1 P13497 1/20 0.43
▸ TLR2 O60603 1/20 0.42
▸ FABP7 O15540 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL5629775 0.90 KMT2A (0.54) KMT2AEPHX2CASP3BMP1TLR2
SCHEMBL5631609 0.90 KMT2A (0.54) KMT2AEPHX2CASP3BMP1TLR2
Hydrochloric Acid SCHEMBL5629771 0.89 KMT2A (0.53) KMT2AEPHX2CASP3BMP1TLR2
Hydrochloric Acid SCHEMBL5629777 0.89 KMT2A (0.53) KMT2AEPHX2CASP3BMP1TLR2
SCHEMBL31041102 0.88 KMT2A (0.57) KMT2AEPHX2CASP3BMP1TLR2
SCHEMBL8170342 0.88 KMT2A (0.57) KMT2AEPHX2CASP3BMP1TLR2
SCHEMBL16623132 0.88 KMT2A (0.55) KMT2AEPHX2CASP3PIN1BMP1
SCHEMBL3871611 0.88 KMT2A (0.57) KMT2AEPHX2CASP3BMP1TLR2
SCHEMBL14596379 0.87 KMT2A (0.55) KMT2AEPHX2CASP3PIN1FABP7
SCHEMBL17751746 0.86 KMT2A (0.55) KMT2AEPHX2CASP3BMP1FABP7

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-20230365628-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-16 — — 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-20230365628-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 KMT2A 2835/4885EPHX2 4848/4885CASP3 1448/4885

“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.

Send feedback