SCHEMBL23978717

SCHEMBL23978717

CC1(C)CCC(NC(=O)NC[C@H](NC(=O)c2c(Cl)ccc(N)c2Cl)C(=O)OCc2ccccc2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.35
IDO1 P14902 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP3 P42574 1/20 0.33
MAPT P10636 3/20 0.33
CTSS P25774 1/20 0.33
MAPK1 P28482 1/20 0.33
NTSR1 P30989 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 9/20 0.33
CYP2C9 P11712 9/20 0.33
CYP2C19 P33261 8/20 0.33
TSHR P16473 6/20 0.33
CYP2D6 P10635 6/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP1A2 P05177 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 4/20 0.33

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
SCHEMBL24803374 1.00 SLC6A9 (0.35) SLC6A9IDO1LNPEPTDP1CASP3
SCHEMBL30083853 1.00 SLC6A9 (0.35) SLC6A9IDO1LNPEPTDP1CASP3
SCHEMBL29019171 0.90 SLC6A9 (0.38) SLC6A9ALDH1A1
SCHEMBL30083841 0.89 CTSS (0.34) TDP1CASP3MAPTCTSSMAPK1
SCHEMBL24803376 0.89 CTSS (0.34) TDP1CASP3MAPTCTSSMAPK1
SCHEMBL24803388 0.87 EPHX2 (0.46) TSHRALDH1A1CASP1HTTUSP2
SCHEMBL30083836 0.87 EPHX2 (0.46) TSHRALDH1A1CASP1HTTUSP2
SCHEMBL26496578 0.87 EPHX2 (0.46) TSHRALDH1A1CASP1HTTUSP2
SCHEMBL23978713 0.85 SIGMAR1 (0.34) CASP3TSHR
SCHEMBL30083847 0.85 SIGMAR1 (0.34) CASP3TSHR

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-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 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-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 SLC6A9 4561/4885IDO1 2127/4885LNPEP 1550/4885

“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.