SCHEMBL18650343

SCHEMBL18650343

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 4/20 0.41
▸ CTSG P08311 4/20 0.41
▸ CTRB1 P17538 4/20 0.41
▸ CMA1 P23946 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ P2RY12 Q9H244 2/20 0.40
▸ CTSL P07711 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ACE P12821 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ICMT O60725 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL18650345 0.89 ICMT (0.41) LMNATDP1HSD17B10CTSLACE
SCHEMBL18650346 0.88 PPARG (0.41) LMNATDP1HSD17B10CTSLRAB9A
SCHEMBL18650334 0.88 CTSL (0.41) TDP1CTSLRAB9AGAAACE
SCHEMBL18650341 0.86 PRSS1 (0.43) PRSS1CTSGCTRB1CMA1CTSL
SCHEMBL18650303 0.80 MAPT (0.41) ALDH1A1MEN1KMT2AICMT
SCHEMBL18650369 0.80 ATM (0.46) CTSLRAB9AGAAACEALDH1A1
SCHEMBL18631777 0.79 PAM (0.42) LMNATDP1ALDH1A1KMT2A
SCHEMBL18650339 0.78 ACE (0.36) ACE
SCHEMBL18631743 0.78 PPARA (0.46) LMNATDP1ALDH1A1FNTAFNTB
SCHEMBL10667128 0.77 ACE (0.47) LMNATDP1HSD17B10CTSLRAB9A

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 PRSS1 598/4885CTSG 977/4885CTRB1 744/4885

“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.

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