Sugi Predict

Sugi Predict / Compounds / SCHEMBL5662948

SCHEMBL5662948

SCHEMBL5662948

Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3cc(F)c(F)cc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.39
▸ MAP2 P11137 5/20 0.38
▸ TUBB4A P04350 2/20 0.34
▸ TUBB P07437 2/20 0.34
▸ TUBA3C P0DPH7 2/20 0.34
▸ TUBA1B P68363 2/20 0.34
▸ TUBA4A P68366 2/20 0.34
▸ TUBB4B P68371 2/20 0.34
▸ TUBB3 Q13509 2/20 0.34
▸ TUBB2A Q13885 2/20 0.34
▸ TUBB8 Q3ZCM7 2/20 0.34
▸ TUBA3E Q6PEY2 2/20 0.34
▸ TUBA1A Q71U36 2/20 0.34
▸ TUBA1C Q9BQE3 2/20 0.34
▸ TUBB6 Q9BUF5 2/20 0.34
▸ TUBB2B Q9BVA1 2/20 0.34
▸ TUBB1 Q9H4B7 2/20 0.34
▸ FEN1 P39748 2/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33

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
SCHEMBL4540828 0.90 MAP2 (0.45) PTGS2MAP2TUBB4ATUBBTUBA3C
SCHEMBL5663854 0.90 MAP2 (0.50) PTGS2MAP2TUBB4ATUBBTUBA3C
SCHEMBL4551243 0.85 MAP2 (0.38) PTGS2MAP2TUBB4ATUBBTUBA3C
SCHEMBL4404179 0.83 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4551399 0.82 TUBB4A (0.42) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30039524 0.81 TUBB4A (0.54) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4329236 0.80 TUBB4A (0.52) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4551037 0.80 MAP2 (0.37) PTGS2MAP2FEN1ALDH1A1
SCHEMBL4551526 0.79 KIF11 (0.46) MAP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4398675 0.79 MAP2 (0.36) PTGS2MAP2FEN1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGS2 2710/4885MAP2 1309/4885TUBB4A 321/4885
US-20020193415-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 PTGS2 2710/4885MAP2 1309/4885TUBB4A 321/4885
US-20040180888-A1 Phenylindoles for the treatment of HIV DUT, NQO1, ENTPD5 PTGS2 2710/4885MAP2 1309/4885TUBB4A 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.