SCHEMBL25645241

SCHEMBL25645241

COCc1c(C(=O)O)cc(C(=O)C(=O)NC(C)C)n1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
DGAT1 O75907 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
XDH P47989 2/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL22906212 0.87 PHGDH (0.30)
SCHEMBL28486708 0.87 PHGDH (0.30)
SCHEMBL28898140 0.83
SCHEMBL28987381 0.73 ESR1 (0.36) ALDH1A1SMN1; SMN2KDM4EPOLBCYP2C19
SCHEMBL21428059 0.73 ESR1 (0.36) ALDH1A1SMN1; SMN2KDM4EPOLBCYP2C19
SCHEMBL28898159 0.70 ESR1 (0.35) MAPTALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL21408306 0.68 KDM4E (0.43) MAPTALDH1A1KDM4ENPSR1GLA
SCHEMBL30294231 0.66 NOTUM (0.35)
SCHEMBL31053372 0.60 NR4A3 (0.43) ALDH1A1L3MBTL1KDM4ECYP2C19TDP1
SCHEMBL14900060 0.60 TDP1 (0.46) MAPTALDH1A1L3MBTL1KDM4EPOLB

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-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 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-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 MAPT 4/4885ALDH1A1 3234/4885SMN1; SMN2 2034/4885

“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.