SCHEMBL17457228

SCHEMBL17457228

O=C(Nc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)Cl)ccc1F

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.65
▸ RAB9A P51151 11/20 0.65
▸ TP53 P04637 4/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ HPGD P15428 2/20 0.65
▸ MAPT P10636 3/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAOB P27338 2/20 0.55
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ PKM P14618 1/20 0.51

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
SCHEMBL30035806 0.82 MAPT (0.61) NPC1RAB9ATP53MAPTLMNA
SCHEMBL15847983 0.82 MAPT (0.61) NPC1RAB9ATP53MAPTLMNA
SCHEMBL17457266 0.80 RAB9A (0.54) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL24776505 0.78 NPC1 (0.53) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL15076497 0.77 GPR27 (0.57) NPC1RAB9ATP53MAPTLMNA
SCHEMBL15076500 0.77 MAPT (0.52) TP53MAPTLMNAKMT2AMEN1
SCHEMBL25881634 0.77 NPC1 (0.47) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL15847687 0.74 LMNA (0.55) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL15573587 0.73 LMNA (0.52) TP53SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL15847413 0.73 LMNA (0.55) NPC1RAB9ATP53SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 — — US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 — — US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 — — US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 — — US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 — — US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 — — 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-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 NPC1 272/4885RAB9A 3576/4885TP53 3039/4885

“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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