SCHEMBL4541894

SCHEMBL4541894

Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(-n4cccc4)cc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 0.37
TUBB2B Q9BVA1 2/20 0.37
TUBB1 Q9H4B7 2/20 0.37
MAP2 P11137 5/20 0.35
FEN1 P39748 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4395466 0.90 TUBB4A (0.40) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL4551337 0.88 CA1 (0.45) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL4551399 0.83 TUBB4A (0.42) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL30039524 0.81 TUBB4A (0.54) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL4329236 0.81 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4551526 0.80 KIF11 (0.46) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL4543171 0.78 CA1 (0.37) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL5724628 0.77 TUBB4A (0.38) CA1CA2TUBB4ATUBBTUBA3C
SCHEMBL4544037 0.77 ALDH1A1 (0.53) CA1CA2PTGS2
SCHEMBL4551243 0.76 MAP2 (0.38) CA1CA2TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390029-B1 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX CAYMAN LTD (KY) 2009-12-16 EP disclosed
US-7365090-B2 Substituted phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20070293668-A1 Phenylindoles for the treatment of HIV LACOLLA PAULO 2007-12-20 US disclosed
EP-1545510-A4 SUBSTITUTED PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX CAYMAN LTD (KY) 2006-11-15 EP disclosed
EP-1390029-A4 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX CAYMAN LTD (KY) 2005-11-30 EP disclosed
EP-1545510-A1 SUBSTITUTED PHENYLINDOLES FOR THE TREATMENT OF HIV Idenix (Cayman) Limited (KY) 2005-06-29 EP disclosed
US-20040180888-A1 Phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS INC. 2004-09-16 US disclosed
US-20040180945-A1 Substituted phenylindoles for the treatment of HIV ARTICO MARINO (IT) 2004-09-16 US disclosed
US-6710068-B2 PHENYLSULFONYLINODLES USEFUL FOR THE TREATMENT OF HIV IN HUMANS AND OTHER HOST ANIMALS IDENIX PHARMACEUTICALS, INC. 2004-03-23 US disclosed
EP-1390029-A1 PHENYLINDOLES FOR THE TREATMENT OF HIV Idenix (Cayman) Limited (KY) 2004-02-25 EP disclosed
WO-2004014364-A1 SUBSTITUTED PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX (CAYMAN) LIMITED (KY) 2004-02-19 WO disclosed
US-20020193415-A1 Phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS INC. 2002-12-19 US disclosed
WO-2002083126-A1 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX (CAYMAN) LIMITED (KY) 2002-10-24 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 (4 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-20070293668-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 CA1 4584/4885CA2 3946/4885TUBB4A 321/4885
US-20020193415-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 CA1 4584/4885CA2 3946/4885TUBB4A 321/4885
US-20040180888-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 CA1 4584/4885CA2 3946/4885TUBB4A 321/4885
US-20040180945-A1 Substituted phenylindoles for the treatment of HIV BRD4, INMT, BRD3 CA1 4000/4885CA2 2546/4885TUBB4A 451/4885

“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.