SCHEMBL21577487

SCHEMBL21577487

COc1ccc(CN2C[C@H](C(=O)O)[C@@H](C)C2O)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
APLNR P35414 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL24610741 0.87 ALDH1A1 (0.58) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL14814315 0.77 BTK (0.49) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL14749827 0.77 BTK (0.49) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL29093223 0.77 BTK (0.49) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL29092737 0.77 BTK (0.49) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL21518920 0.77 BTK (0.49) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL22504168 0.77 BTK (0.49) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL21518921 0.77 BTK (0.49) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL14814362 0.77 BTK (0.49) ALDH1A1TSHRKMT2AMEN1TDP1
SCHEMBL23716898 0.74 SMN1; SMN2 (0.67) ALDH1A1TSHRKMT2AMEN1TDP1

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-11014910-B2 Methyllactam ring compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2021-05-25 US disclosed
US-20190352284-A1 METHYLLACTAM RING COMPOUND AND PHARMACEUTICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2019-11-21 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-11014910-B2 Methyllactam ring compound and pharmaceutical use thereof SLC5A1, SLC5A2, SLC5A6 ALDH1A1 431/4885TSHR 4110/4885KMT2A 236/4885
US-20190352284-A1 METHYLLACTAM RING COMPOUND AND PHARMACEUTICAL USE THEREOF SLC5A1, SLC5A2, SLC5A6 ALDH1A1 431/4885TSHR 4110/4885KMT2A 236/4885

“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.