SCHEMBL23699692

SCHEMBL23699692

CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 3/20 0.61
▸ FNTB P49356 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CA2 P00918 3/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ ACE P12821 1/20 0.41

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
SCHEMBL23699693 1.00 FNTA (0.61) FNTAFNTBALDH1A1NPSR1CA2
SCHEMBL21794720 0.89 FNTA (0.49) FNTAFNTBALDH1A1CRHBPCRHR2
SCHEMBL23712605 0.89 FNTA (0.49) FNTAFNTBALDH1A1CRHBPCRHR2
SCHEMBL21776957 0.87 FNTA (0.48) FNTAFNTBALDH1A1CRHBPCRHR2
SCHEMBL21776958 0.87 FNTA (0.48) FNTAFNTBALDH1A1CRHBPCRHR2
Hydrochloric Acid SCHEMBL23699686 0.84 PPID (0.47) FNTAFNTBALDH1A1NPSR1CA2
Hydrochloric Acid SCHEMBL23699687 0.84 PPID (0.47) FNTAFNTBALDH1A1NPSR1CA2
SCHEMBL8602967 0.77 FNTA (0.62) FNTAFNTBALDH1A1NPSR1CA2
SCHEMBL8602966 0.77 FNTA (0.62) FNTAFNTBALDH1A1NPSR1CA2
SCHEMBL8937074 0.76 FNTA (1.00) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802108-B2 Compounds for the modulation of cyclophilins function THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-10-31 — — US disclosed
US-20210238130-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2021-08-05 — — 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-11802108-B2 Compounds for the modulation of cyclophilins function CBR1, CBR3, PPIC FNTA 2895/4885FNTB 1347/4885ALDH1A1 2150/4885
US-20210238130-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION CBR1, CBR3, PPIC FNTA 2895/4885FNTB 1347/4885ALDH1A1 2150/4885

“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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