SCHEMBL6766810

SCHEMBL6766810

CCOC(=O)C(O)=CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTR6 P50406 8/20 0.44
▸ PLK1 P53350 1/20 0.42
▸ TNF P01375 3/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL6766808 1.00 MEN1 (0.44) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL7135129 0.86 LMNA (0.48) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL6768534 0.86 LMNA (0.48) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL6773761 0.79 SMN1; SMN2 (0.46) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL6769055 0.78 LMNA (0.71) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL1466360 0.78 AKR1C3 (0.60) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL6773745 0.77 MEN1 (0.53) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL6764407 0.77 LMNA (0.44) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL6767287 0.77 MEN1 (0.52) MEN1KMT2ALMNASMN1; SMN2HTR6
SCHEMBL6767283 0.77 MEN1 (0.52) MEN1KMT2ALMNASMN1; SMN2HTR6

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-6716605-B2 Indole derivatives having an antiviral activity SHIONOGI & CO., LTD. (JP) 2004-04-06 — — US disclosed
US-20030181499-A1 Indole derivatives having an antiviral activity FUJISHITA TOSHIO (JP) 2003-09-25 — — US disclosed
US-6506787-B2 Aids therapy SHIONOGI & CO., LTD. (JP) 2003-01-14 — — US disclosed
US-20020019434-A1 Indole derivatives having an antiviral activity FUJISHITA TOSHIO (JP) 2002-02-14 — — US disclosed
US-6333323-B1 AS ANTI-HUMAN IMMUNODEFICIENCY VIRUS (HIV) DRUGS SHIONOGI & CO., LTD. (JP) 2001-12-25 — — US disclosed
EP-1069111-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-01-17 — — EP 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-20020019434-A1 Indole derivatives having an antiviral activity IDO1, IDO2, RCOR1 MEN1 4808/4885KMT2A 516/4885LMNA 3556/4885
US-20030181499-A1 Indole derivatives having an antiviral activity IDO1, RCOR1, IDO2 MEN1 4793/4885KMT2A 523/4885LMNA 3448/4885

“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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