SCHEMBL19915499

SCHEMBL19915499

CC(C)N[C@@H](C)C(=O)Nc1ccc(COC(=O)C(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LTA4H P09960 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KLK7 P49862 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PLG P00747 1/20 0.39

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
SCHEMBL13775167 0.95 SMN1; SMN2 (0.46) ROCK2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL21671263 0.86 MEN1 (0.56) ROCK2MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL26230924 0.86 SMN1; SMN2 (0.44) ROCK2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19915498 0.86 SMN1; SMN2 (0.44) ROCK2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19915501 0.83 NPC1 (0.42) ROCK2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL25475919 0.81 NPC1 (0.50) SMN1; SMN2NPC1RAB9A
SCHEMBL19491612 0.80 KMT2A (0.58) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10255243 0.80 APP (0.44) ROCK2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL27104513 0.79 SMN1; SMN2 (0.45) ROCK2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL21659099 0.79 KMT2A (0.43) ROCK2MEN1KMT2ASMN1; SMN2NPC1

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-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same REMEGEN CO., LTD. (CN) 2018-03-01 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-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same DHFR, FCGR1A, ADCY4 ROCK2 2403/4885MEN1 3814/4885KMT2A 470/4885

“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.