SCHEMBL23422467

SCHEMBL23422467

COC(C)N(CC(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 2/20 0.38
KEAP1 Q14145 3/20 0.38
NFE2L2 Q16236 2/20 0.38
GLA P06280 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL11670225 0.85 KMT2A (0.44) ALDH1A1SMN1; SMN2MAPK1LMNATP53
SCHEMBL3863960 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNATP53TSHR
SCHEMBL6979204 0.80 MAOB (0.46) GLAMAOB
SCHEMBL547492 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNATP53TSHR
SCHEMBL7867023 0.80 NR1H2 (0.40) ALDH1A1SMN1; SMN2MAPK1TSHRGLA
SCHEMBL547805 0.79 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2LMNATP53TSHR
SCHEMBL10444592 0.78 TP53 (0.39) ALDH1A1MAPK1LMNATP53TSHR
SCHEMBL16858004 0.76 NPSR1 (0.41) ALDH1A1SMN1; SMN2MAPK1LMNATP53
SCHEMBL6237039 0.75 MLYCD (0.40) ALDH1A1SMN1; SMN2LMNATP53TSHR
SCHEMBL9119942 0.75 MAOB (0.51) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022400-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-01-26 US disclosed
WO-2021188480-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-09-23 WO disclosed
WO-2021102143-A1 MACROCYCLIC PEPTIDES AS PD-L1 INHIBITORS AND IMMUNOMODULATORS FOR THE TREATMENT OF CANCER AND INFECTIOUS DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 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 (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-20230022400-A1 IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 ALDH1A1 1602/4885SMN1; SMN2 4465/4885MAPK1 1623/4885

“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.