SCHEMBL4543167

SCHEMBL4543167

Cc1ccc(S(=O)(=O)c2c(C(=O)NN)[nH]c3ccc(Cl)cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52
TUBB1 Q9H4B7 1/20 0.52
CNR1 P21554 1/20 0.47
POLB P06746 2/20 0.46
DUSP3 P51452 1/20 0.46

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
SCHEMBL4409851 0.93 KDM4E (0.56) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4401484 0.91 KDM4E (0.52) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4405267 0.89 KDM4E (0.52) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4410863 0.88 KDM4E (0.63) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL4405052 0.85 TUBB4A (0.47) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL14194793 0.80 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29040411 0.80 CNR1 (0.49) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL30039404 0.80 CNR1 (0.49) KDM4EALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL28569712 0.80 CNR1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8938304 0.79 MAP2 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 8 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-20070293668-A1 Phenylindoles for the treatment of HIV LACOLLA PAULO 2007-12-20 US disclosed
EP-1390029-A4 PHENYLINDOLES FOR THE TREATMENT OF HIV IDENIX CAYMAN LTD (KY) 2005-11-30 EP disclosed
US-20040180888-A1 Phenylindoles for the treatment of HIV IDENIX PHARMACEUTICALS INC. 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
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 (3 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 KDM4E 1393/4885ALDH1A1 1178/4885TUBB4A 321/4885
US-20020193415-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 KDM4E 1393/4885ALDH1A1 1178/4885TUBB4A 321/4885
US-20040180888-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 KDM4E 1393/4885ALDH1A1 1178/4885TUBB4A 321/4885

“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.