SCHEMBL3810475

SCHEMBL3810475

Cc1ccc(C(=O)NC[C@H](CC(C)C)NC(=O)OCC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.45
CTSK P43235 2/20 0.42
CTSS P25774 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC4 P56524 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MMP13 P45452 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3807941 0.86 KMT2A (0.48) MLYCDNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL3810771 0.84 MLYCD (0.44) MLYCDNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL18113985 0.84 MLYCD (0.44) MLYCDNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL3809728 0.84 NPC1 (0.45) NPC1RAB9APOLBLMNAKMT2A
SCHEMBL21749700 0.81 NPC1 (0.44) MLYCDNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL3807531 0.81 NPC1 (0.44) MLYCDNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL3805814 0.78 CTSL (0.48) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL4086683 0.77 SMN1; SMN2 (0.41) MLYCDCTSKCTSSNPC1RAB9A
SCHEMBL3809689 0.75 LMNA (0.43) POLBLMNA
SCHEMBL15165764 0.75 MAPT (0.42) MLYCDNPC1RAB9ASMN1; SMN2TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281352-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVES HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATES FOR PRODUCTION OF THE DERIVATIVES MITSUI CHEMICALS, INC. (JP) 2009-11-12 US disclosed
US-20090281352-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVES HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATES FOR PRODUCTION OF THE DERIVATIVES MITSUI CHEMICALS, INC. (JP) 2009-11-12 US disclosed
US-20090281352-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVES HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATES FOR PRODUCTION OF THE DERIVATIVES MITSUI CHEMICALS, INC. (JP) 2009-11-12 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-20090281352-A1 PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVES HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATES FOR PRODUCTION OF THE DERIVATIVES ASNS, GLUL, NAAA MLYCD 1226/4885CTSK 737/4885CTSS 326/4885

“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.