SCHEMBL26886013

SCHEMBL26886013

CC(C)NC(=O)c1cccc2c(O)cc(S(=O)(=O)O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ CASP6 P55212 3/20 0.40
▸ NSD2 O96028 3/20 0.40
▸ NT5E P21589 2/20 0.40
▸ DUSP3 P51452 2/20 0.40
▸ PTPN5 P54829 2/20 0.40
▸ PTPN11 Q06124 2/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ DUSP5 Q16690 1/20 0.37
▸ KDM4E B2RXH2 2/20 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
SCHEMBL26885768 0.83 MTNR1A (0.46) LMNACASP6ALDH1A1HSD17B10
SCHEMBL26885067 0.81 ALOX5 (0.47) ALOX5LMNANPSR1ALDH1A1PTPN1
SCHEMBL26885809 0.81 APEX1 (0.46) PRMT1ALOX5LMNACASP6NSD2
SCHEMBL26885787 0.80 CASP6 (0.54) LMNACASP6NPSR1ALDH1A1HPGD
SCHEMBL26890239 0.78 ALOX5 (0.44) PRMT1ALOX5LMNANPSR1ALDH1A1
SCHEMBL26885161 0.78 LMNA (0.49) ALOX5LMNAALDH1A1KDM4EHPGD
SCHEMBL26886688 0.77 FTO (0.47) ALOX5LMNAPTPN11CA12CA1
SCHEMBL26885158 0.75 KMT2A (0.47) ALOX5LMNANPSR1ALDH1A1
SCHEMBL26886020 0.74 CASP6 (0.56) PRMT1CASP6NSD2NT5EDUSP3
SCHEMBL26885182 0.74 NT5E (0.52) PRMT1CASP6NSD2NT5EDUSP3

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-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 — — US disclosed
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 — — 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-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF ACE2, ACE, SARS1 PRMT1 624/4885ALOX5 1140/4885LMNA 2523/4885

“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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