SCHEMBL18650367

SCHEMBL18650367

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nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PPARG P37231 3/20 0.37
▸ PPARA Q07869 3/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MME P08473 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
SCHEMBL18631777 0.88 PAM (0.42) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL18631743 0.86 PPARA (0.46) ADRB2ADRB1ADRB3ALDH1A1LMNA
SCHEMBL18650334 0.86 CTSL (0.41) ACEALDH1A1PPARGPPARATSHR
SCHEMBL20122588 0.83 ACE (0.48) ACEADRB2ADRB1ADRB3ALDH1A1
SCHEMBL18650338 0.82 MME (0.35) ACEALDH1A1LMNAMME
SCHEMBL18650346 0.82 PPARG (0.41) ACEALDH1A1LMNAPPARGPPARA
SCHEMBL20122445 0.82 ADRB2 (0.41) ACEADRB2ADRB1ADRB3ALDH1A1
SCHEMBL18650356 0.81 MME (0.35) ACEALDH1A1LMNAMME
SCHEMBL18650339 0.80 ACE (0.36) ACEMME
SCHEMBL20122382 0.79 ADRB2 (0.38) ACEADRB2ADRB1ADRB3ALDH1A1

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 ACE 917/4885ADRB2 862/4885ADRB1 882/4885

“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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