SCHEMBL30133389

SCHEMBL30133389

O=C(O)C(=O)NC1CCCc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.71
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 4/20 0.65
EPHX1 P07099 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TAS1R3 Q7RTX0 4/20 0.60
TAS1R1 Q7RTX1 4/20 0.60
TAS1R2 Q8TE23 3/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
CYP2D6 P10635 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL30277147 1.00 HTT (0.71) HTTKMT2AMEN1ALDH1A1EPHX1
SCHEMBL24710086 1.00 HTT (0.71) HTTKMT2AMEN1ALDH1A1EPHX1
SCHEMBL29179558 1.00 HTT (0.71) HTTKMT2AMEN1ALDH1A1EPHX1
SCHEMBL9011724 0.87 HTT (0.75) HTTKMT2AMEN1ALDH1A1EPHX1
SCHEMBL30852969 0.86 HTT (0.65) HTTKMT2AMEN1ALDH1A1EPHX1
SCHEMBL5652155 0.86 HTT (0.65) HTTKMT2AMEN1ALDH1A1EPHX1
SCHEMBL29179603 0.86 HTT (0.65) HTTKMT2AMEN1ALDH1A1EPHX1
SCHEMBL1568062 0.84 KMT2A (0.71) HTTKMT2AMEN1ALDH1A1EPHX1
SCHEMBL15028545 0.84 HTT (0.66) HTTKMT2AMEN1ALDH1A1EPHX1
SCHEMBL2406255 0.83 HTT (1.00) HTTKMT2AMEN1ALDH1A1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150318-A1 PROTEASE INHIBITORS FOR TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE 2024-05-09 US disclosed
EP-4352040-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS The Scripps Research Institute (US) 2024-04-17 EP disclosed
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
US-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-01-26 US disclosed
WO-2022261473-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-15 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 (3 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-20230024012-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 HTT 4160/4885KMT2A 2364/4885MEN1 3185/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 HTT 4160/4885KMT2A 2364/4885MEN1 3185/4885
US-20240150318-A1 PROTEASE INHIBITORS FOR TREATMENT OF CORONAVIRUS INFECTIONS ACE, ACE2, TMPRSS2 HTT 4160/4885KMT2A 2364/4885MEN1 3185/4885

“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.