SCHEMBL25327976

SCHEMBL25327976

CC(C)C(NC(=O)O)C(=O)NCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.37
ECE1 P42892 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
CNR1 P21554 1/20 0.35
CYP2D6 P10635 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL25328927 0.84 CTSS (0.44) KMT2AMEN1USP2ALDH1A1MAPT
SCHEMBL25328694 0.83 CTSS (0.40) KMT2AALDH1A1MAPTCTSSCTSK
SCHEMBL12462704 0.81 SMN1; SMN2 (0.54) MAPTCTSSCTSKLMNASMN1; SMN2
SCHEMBL17870446 0.81 CTSS (0.39) KMT2ACTSSCTSKPOLBLMNA
SCHEMBL25327830 0.80 KMT2A (0.50) KMT2AMEN1USP2ALDH1A1MAPT
SCHEMBL19323080 0.80 CTSS (0.42) KMT2AMEN1ALDH1A1TSHRCTSS
SCHEMBL19323030 0.80 CTSS (0.42) KMT2AMEN1ALDH1A1TSHRCTSS
SCHEMBL17870460 0.79 CTSS (0.37) KMT2ACTSSCTSKPOLBLMNA
SCHEMBL17870458 0.79 CTSS (0.37) KMT2ACTSSCTSKPOLBLMNA
SCHEMBL5559974 0.76 CTSK (0.67) CTSSCTSKCYP2D6CA2

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-20230234912-A1 NOVEL ANALOGS OF PTEROSTILBENE AMINO ACID BEARING CARBONATES FOR TREATING A NON-ALCOHOLIC FATTY LIVER DISEASE AND NONALCOHOLIC STEATOHEPATITIS APICAL MOLECULAR BIOTECH CO., LTD. (TW) 2023-07-27 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-20230234912-A1 NOVEL ANALOGS OF PTEROSTILBENE AMINO ACID BEARING CARBONATES FOR TREATING A NON-ALCOHOLIC FATTY LIVER DISEASE AND NONALCOHOLIC STEATOHEPATITIS FABP1, GLS2, SLC1A5 KMT2A 912/4885MEN1 2688/4885USP2 4371/4885

“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.