SCHEMBL24916247

SCHEMBL24916247

CC(=O)CSC[C@H](C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 0.30
NOS3 P29474 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 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
SCHEMBL26518372 0.86 FCER2 (0.33) TDP1
SCHEMBL12989556 0.83 CYP2D6 (0.46) ALDH1A1CYP1A2
SCHEMBL16790758 0.80 APEX1 (0.39) CES2ALDH1A1TDP1CYP1A2
SCHEMBL24915512 0.80 ACE (0.34) CES2
SCHEMBL12134777 0.77
SCHEMBL12934316 0.77
SCHEMBL24915216 0.76 MME (0.34) CES2ALDH1A1TDP1
SCHEMBL8424785 0.76 CA1 (0.34) TDP1
SCHEMBL12055917 0.75 CYP1A2 (0.46) ALDH1A1CYP1A2TSHR
SCHEMBL19992341 0.75 CES2 (0.32) CES2

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-20230374073-A1 DIMERIC MILLA IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 US disclosed
US-20230365628-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-16 US disclosed
WO-2023102507-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-08 WO disclosed
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 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 (2 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 CES2 4883/4885ALDH1A1 3750/4885TDP1 3257/4885
US-20230374073-A1 DIMERIC MILLA IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 CES2 4875/4885ALDH1A1 3255/4885TDP1 3890/4885

“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.