SCHEMBL22550481

SCHEMBL22550481

CC[C@H](C)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
CTSK P43235 1/20 0.48
ABL1 P00519 10/20 0.44
MTOR P42345 1/20 0.44
WNT3A P56704 1/20 0.43
CHEK1 O14757 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAP3K7 O43318 1/20 0.41
MAP3K6 O95382 1/20 0.41
MAP3K5 Q99683 1/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL20718135 1.00 NOTUM (0.49) NOTUMCTSKABL1MTORWNT3A
SCHEMBL22550526 1.00 NOTUM (0.49) NOTUMCTSKABL1MTORWNT3A
SCHEMBL22793399 0.88 NOTUM (0.52) NOTUMCTSKABL1MTORWNT3A
SCHEMBL22550382 0.86 NOTUM (0.50) NOTUMCTSKABL1MTORWNT3A
SCHEMBL20718421 0.86 NOTUM (0.50) NOTUMCTSKABL1MTORWNT3A
SCHEMBL20718428 0.86 NOTUM (0.50) NOTUMCTSKABL1MTORWNT3A
SCHEMBL9606798 0.85 NOTUM (0.47) NOTUMCTSKABL1MTORWNT3A
SCHEMBL22550333 0.79 ALDH1A1 (0.52) CTSKKDM4EALDH1A1
SCHEMBL22550682 0.79 ALDH1A1 (0.52) CTSKKDM4EALDH1A1
SCHEMBL22550631 0.79 ALDH1A1 (0.52) CTSKKDM4EALDH1A1

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-20200325177-A1 METHODS OF MAKING STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-15 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-20200325177-A1 METHODS OF MAKING STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF PLG, LIPA, MB NOTUM 648/4885CTSK 592/4885ABL1 2853/4885

“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.