SCHEMBL29522015

SCHEMBL29522015

CN(C(=O)OC(C)(C)C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 5/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CRHBP P24387 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MTOR P42345 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.41
MLKL Q8NB16 1/20 0.41
RORC P51449 1/20 0.41

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
SCHEMBL13883802 0.88 ALDH1A1 (0.56) LMNAALDH1A1GAACYP1A2CYP3A4
SCHEMBL1863805 0.88 ALDH1A1 (0.56) LMNAALDH1A1GAACYP1A2CYP3A4
SCHEMBL13125989 0.86 LMNA (0.43) KLK7LMNAALDH1A1GAACRHBP
SCHEMBL6715547 0.81 CYP1A2 (0.44) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL26393799 0.80 MMP13 (0.42) ALDH1A1GAAHTTMTOR
SCHEMBL25169591 0.79 TXNRD1 (0.36) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL25169590 0.79 TXNRD1 (0.36) MEN1KMT2AALDH1A1GAAHTT
SCHEMBL1098258 0.78 ROCK2 (0.58) ALDH1A1
SCHEMBL1098257 0.78 ROCK2 (0.58) ALDH1A1
SCHEMBL6715886 0.78 TSHR (0.50) KMT2AALDH1A1GAAHTTNPSR1

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-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-08-01 US disclosed
WO-2022065962-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF 한국화학연구원 2022-03-31 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-20240252488-A1 MLKL BINDING OR DEGRADING COMPOUND AND PHARMACEUTICAL USE THEREOF MLKL, PCSK9, CTSA KLK7 102/4885MEN1 751/4885KMT2A 3704/4885

“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.