SCHEMBL4398675

SCHEMBL4398675

Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(F)c(F)c23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 5/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 4/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
PTGS2 P35354 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
FEN1 P39748 2/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 2/20 0.32
ATM Q13315 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 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
SCHEMBL4395731 0.89 MEN1 (0.39) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL4542423 0.88 MAP2 (0.37) MAP2MEN1KMT2AGAAALDH1A1
SCHEMBL4412208 0.88 MAP2 (0.50) MAP2GAAALDH1A1TSHRPTGS2
SCHEMBL4395660 0.84 TUBB4A (0.49) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL14194784 0.83 CA1 (0.33) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL13593215 0.82 FEN1 (0.35) MEN1KMT2APTGS2FEN1LMNA
SCHEMBL14374584 0.82 CA2 (0.36) MAP2MEN1KMT2AGAAALDH1A1
SCHEMBL13593216 0.82 CA2 (0.36) MAP2MEN1KMT2AGAAALDH1A1
SCHEMBL5662948 0.79 PTGS2 (0.39) MAP2MEN1KMT2AGAAALDH1A1
SCHEMBL4400335 0.78 MAP2 (0.43) MAP2MEN1KMT2AGAAALDH1A1

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 15 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
US-20070293668-A1 Phenylindoles for the treatment of HIV LACOLLA PAULO 2007-12-20 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 MAP2 1309/4885MEN1 3850/4885KMT2A 3276/4885
US-20020193415-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 MAP2 1309/4885MEN1 3850/4885KMT2A 3276/4885
US-20040180888-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 MAP2 1309/4885MEN1 3850/4885KMT2A 3276/4885
US-20040180945-A1 Substituted phenylindoles for the treatment of HIV BRD4, INMT, BRD3 MAP2 93/4885MEN1 820/4885KMT2A 270/4885

“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.