SCHEMBL18650369

SCHEMBL18650369

O=C(OCOC(=O)C1CCCCC1)SC[C@H](NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ GRN P28799 1/20 0.38
▸ SORT1 Q99523 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37

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
SCHEMBL18631767 0.83 ADRB2 (0.33) ALDH1A1MAPTL3MBTL1
SCHEMBL20511129 0.82 SMN1; SMN2 (0.37) ALDH1A1MAPTL3MBTL1SMN1; SMN2ACE
SCHEMBL18631771 0.82 SMN1; SMN2 (0.37) ALDH1A1MAPTL3MBTL1SMN1; SMN2ACE
SCHEMBL18650334 0.82 CTSL (0.41) CTSLALDH1A1MAPTPOLBGAA
SCHEMBL18650345 0.81 ICMT (0.41) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL18650344 0.80 ACE (0.36) ALDH1A1MAPTL3MBTL1GAASMN1; SMN2
SCHEMBL18650346 0.80 PPARG (0.41) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL18650343 0.80 PRSS1 (0.41) CTSLALDH1A1L3MBTL1GAARAB9A
SCHEMBL18650341 0.78 PRSS1 (0.43) CTSLGRNSORT1ACE
SCHEMBL20122585 0.77 ADRB2 (0.36) ALDH1A1ACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630918-B2 Cysteine, N-acetylcysteine, and penicillamine related compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 — — US disclosed
US-9630918-B2 Cysteine, N-acetylcysteine, and penicillamine related compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 — — US disclosed
US-20170081280-A1 CYSTEINE, N-ACETYLCYSTEINE, AND PENICILLAMINE RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-03-23 — — US disclosed
US-20170081280-A1 CYSTEINE, N-ACETYLCYSTEINE, AND PENICILLAMINE RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-03-23 — — 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-20170081280-A1 CYSTEINE, N-ACETYLCYSTEINE, AND PENICILLAMINE RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NAT1, HHAT, CBS ATM 2098/4885CTSL 1408/4885CTSB 1822/4885

“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.

Send feedback