SCHEMBL6089173

SCHEMBL6089173

COc1ccc(NCCCCCO)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
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
BCL6 P41182 2/20 0.46
PDE5A O76074 1/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3859668 0.87 TUBB4A (0.57) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15934214 0.86 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15934308 0.84 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11114332 0.81 KDM4E (0.58) ALDH1A1BCL6POLBKDM4E
SCHEMBL15934274 0.81 TUBB4A (0.57) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5822705 0.81 TUBB1 (0.47) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7849755 0.77 ALDH1A1 (0.49) ALDH1A1BCL6PDE5APOLBKDM4E
SCHEMBL3140338 0.77 TUBB4A (0.60) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15934282 0.77 TUBB4A (0.54) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3208022 0.76 POLB (0.55) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138418-B2 For therapy of atherosclerosis and hypercholesterolemia; 5-Pentafluorophenylsulfonamidoindazole for example; increasing LDL receptor gene expression in a cell AMGEN, INC. (US) 2006-11-21 US disclosed
US-6962929-B2 Pentafluorobenzenesulfonamides and analogs TULARIK INC. (US) 2005-11-08 US disclosed
EP-0939627-B1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 2003-09-10 EP disclosed
EP-0896533-B1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 2003-09-10 EP disclosed
US-20030162817-A1 Pentafluorobenzenesulfonamides and analogs TULARIK INC. 2003-08-28 US disclosed
EP-1334719-A2 Pentafluorobenzenesulfonamides and analogs TULARIK, INC. (US) 2003-08-13 EP disclosed
US-6482860-B1 such as batabulin (2-Fluoro-1-methoxy-4-pentafluorophenylsulfonamidobenzene), use as antiproliferative agents to treat cancer TULARIK INC. 2002-11-19 US disclosed
US-20020143036-A1 Pentafluorobenzenesulfonamides and analogs TULARIK INC. 2002-10-03 US disclosed
US-6316484-B1 FOR THERAPY OR PROPHYLAXIS OF ATHEROSCLEROSIS AND HYPERCHOLESTEROLEMIA TULARIK INC. 2001-11-13 US disclosed
EP-0939627-A4 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 2000-10-04 EP disclosed
US-6121304-A SUCH AS 1-(PENTAFLUOROPHENYLSULFONYL)INDOLE; USEFUL IN TREATING ATHEROSCLEROSIS AND HYPERCHOLESTEROLERNIA TULARIK INC (US) 2000-09-19 US disclosed
EP-0939627-A1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1999-09-08 EP disclosed
EP-0896533-A4 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 1999-04-28 EP disclosed
US-5880151-A TREATING OR PREVENTING DISEASE CHARACTERIZED BY HIGH LEVELS OF LOW DENSITY LIPOPROTEIN PARTICLES OR CHOLESTEROL IN BLOOD TULARIK INC. (US) 1999-03-09 US disclosed
EP-0896533-A2 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1999-02-17 EP disclosed
WO-1998005315-A1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1998-02-12 WO disclosed
WO-1997030677-A2 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1997-08-28 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 (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-20030162817-A1 Pentafluorobenzenesulfonamides and analogs FGFR1, FPR1, FGF1 ALDH1A1 1192/4885TUBB4A 1220/4885TUBB 926/4885
US-20020143036-A1 Pentafluorobenzenesulfonamides and analogs FFAR1, PCSK9, PFAS ALDH1A1 1403/4885TUBB4A 2445/4885TUBB 2438/4885

“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.