SCHEMBL21794497

SCHEMBL21794497

CCOC(=O)[C@H](CCSC)NC(=O)N(CC)Cc1ccc(N)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 3/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTT P42858 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ DRD1 P21728 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ METAP2 P50579 1/20 0.37
▸ METAP1 P53582 1/20 0.37
▸ GAA P10253 1/20 0.36

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
SCHEMBL21794498 1.00 PPID (0.65) PPIDL3MBTL1HTTCASP1KLKB1
Hydrochloric Acid SCHEMBL30638083 0.99 PPID (0.64) PPIDL3MBTL1HTTCASP1KLKB1
Hydrochloric Acid SCHEMBL23699687 0.87 PPID (0.47) PPIDALDH1A1NPSR1
Hydrochloric Acid SCHEMBL23699686 0.87 PPID (0.47) PPIDALDH1A1NPSR1
SCHEMBL21794720 0.85 FNTA (0.49) PPIDL3MBTL1ALDH1A1
SCHEMBL23712605 0.85 FNTA (0.49) PPIDL3MBTL1ALDH1A1
SCHEMBL2039871 0.79 PPID (1.00) PPIDL3MBTL1HTTCASP1DRD1
SCHEMBL4816369 0.75 PPID (0.63) PPIDL3MBTL1ALDH1A1NPSR1TAS1R3
SCHEMBL23699693 0.73 FNTA (0.61) ALDH1A1NPSR1
SCHEMBL23699692 0.73 FNTA (0.61) ALDH1A1NPSR1

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-11802108-B2 Compounds for the modulation of cyclophilins function THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-10-31 — — US disclosed
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
WO-2020043831-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-03-05 — — WO 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 PPID 48/4885L3MBTL1 2037/4885HTT 1091/4885
US-20210238130-A1 COMPOUNDS FOR THE MODULATION OF CYCLOPHILINS FUNCTION CBR1, CBR3, PPIC PPID 48/4885L3MBTL1 2037/4885HTT 1091/4885

“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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