SCHEMBL22199530

SCHEMBL22199530

CCCN(CCOC)C(=O)CC(C)(C)CCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MLYCD O95822 2/20 0.38
NAMPT P43490 1/20 0.34
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SCN9A Q15858 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
SCHEMBL22199646 0.79 ALDH1A1 (0.36) ALDH1A1HPGDSIGMAR1L3MBTL1
SCHEMBL19155366 0.78 ALDH1A1 (0.33) ALDH1A1HPGDPOLBTDP1
SCHEMBL14201301 0.77 KCNQ3 (0.39) ALDH1A1HPGDMLYCDPOLBGAA
SCHEMBL13612708 0.77 ALDH1A1 (0.48) ALDH1A1HPGDMLYCDNAMPTCA12
SCHEMBL12155306 0.74 MLYCD (0.42) ALDH1A1HPGDMLYCDNAMPTCA12
SCHEMBL26043609 0.74 DNM1 (0.56) ALDH1A1TSHR
SCHEMBL1373081 0.73 ALDH1A1 (0.57) ALDH1A1HPGDCA12CA2CA9
SCHEMBL2838599 0.73 ALDH1A1 (0.47) ALDH1A1HPGDMLYCDPOLBL3MBTL1
SCHEMBL22799902 0.72 ALDH1A1 (0.34) ALDH1A1HPGDCA12CA2CA9
SCHEMBL23889729 0.71 ALDH1A1 (0.43) ALDH1A1HPGDMLYCDNAMPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358988-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-14 US disclosed
US-20200216498-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-09 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 (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-11358988-B2 Immunomodulators CD74, ICOS, HAVCR2 ALDH1A1 1217/4885HPGD 1110/4885MLYCD 2578/4885
US-20200216498-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 ALDH1A1 1217/4885HPGD 1110/4885MLYCD 2578/4885

“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.