SCHEMBL18650345

SCHEMBL18650345

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 1/20 0.41
▸ CTSL P07711 3/20 0.41
▸ ACE P12821 2/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PPARG P37231 4/20 0.39
▸ PPARA Q07869 4/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PPARD Q03181 2/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ CTSS P25774 2/20 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
SCHEMBL18650346 0.89 PPARG (0.41) ICMTCTSLACEFNTAFNTB
SCHEMBL18650343 0.89 PRSS1 (0.41) ICMTCTSLACEFNTAFNTB
SCHEMBL18650334 0.89 CTSL (0.41) ICMTCTSLACEFNTAFNTB
SCHEMBL18650341 0.87 PRSS1 (0.43) ICMTCTSLACEFNTAFNTB
SCHEMBL18631777 0.82 PAM (0.42) ALDH1A1KMT2ATDP1LMNAPPARG
SCHEMBL10667128 0.81 ACE (0.47) ICMTCTSLACEMEN1ALDH1A1
SCHEMBL10667124 0.81 ACE (0.47) ICMTCTSLACEMEN1ALDH1A1
SCHEMBL18631773 0.81 MAPT (0.43) ICMTALDH1A1
SCHEMBL18650369 0.81 ATM (0.46) CTSLACEMEN1ALDH1A1KMT2A
SCHEMBL18793468 0.81 ICMT (0.40) ICMTCTSLACEMEN1ALDH1A1

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 ICMT 131/4885CTSL 1408/4885ACE 917/4885

“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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