SCHEMBL6183151

SCHEMBL6183151

CC(CCNC(=O)OCc1ccccc1)CC(=O)NCC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
KCNA5 P22460 2/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
MAPT P10636 1/20 0.45
TGM2 P21980 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL8327496 0.84 HTT (0.59) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL6181806 0.84 CTSS (0.57) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL7456077 0.84 CTSS (0.57) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL7130614 0.84 LMNA (0.45) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL7137508 0.83 LMNA (0.44) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL6183204 0.82 CTSS (0.49) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL6183160 0.82 CTSS (0.49) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL8324281 0.82 LMNA (0.56) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL18085394 0.81 SLC1A3 (0.60) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL22043447 0.81 SLC1A3 (0.60) SLC1A3SLC1A1LMNASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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 (2 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 SLC1A3 4160/4885SLC1A1 4271/4885LMNA 1379/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 SLC1A3 4160/4885SLC1A1 4271/4885LMNA 1379/4885

“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.