SCHEMBL6773787

SCHEMBL6773787

CC(=O)c1c[nH]c2cc(OS(=O)(=O)c3ccccc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.51
MAOB P27338 1/20 0.45
MAPT P10636 3/20 0.45
TUBB1 Q9H4B7 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MDH2 P40926 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
HASPIN Q8TF76 1/20 0.41
HAT1 O14929 1/20 0.41
EP300 Q09472 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL12480809 0.77 MAPT (0.71) PBRM1MAPTTUBB1ALDH1A1HPGD
SCHEMBL17023377 0.76 MDH2 (0.72) PBRM1MAOBALDH1A1HPGDMDH2
SCHEMBL6232289 0.72 CA12 (0.45) MAOBMAPTALDH1A1SMN1; SMN2ALPL
SCHEMBL17034508 0.71 HTT (0.53) PBRM1MAPTTUBB1ALDH1A1HPGD
SCHEMBL687294 0.70 KMT2A (0.72) MAOBMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6768371 0.70 POLB (0.49) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29531272 0.70 PBRM1 (1.00) PBRM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL50742 0.70 PBRM1 (1.00) PBRM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL590922 0.69 MAPT (0.73) MAPTTUBB1ALDH1A1SMN1; SMN2MEN1
SCHEMBL17025018 0.69 PBRM1 (0.57) PBRM1MAPTTUBB1ALDH1A1HPGD

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 PBRM1 3220/4885MAOB 899/4885MAPT 4082/4885
US-20030181499-A1 Indole derivatives having an antiviral activity IDO1, RCOR1, IDO2 PBRM1 3281/4885MAOB 822/4885MAPT 4090/4885

“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.